*HEADER    BIOSYNTHETIC PROTEIN                    03-SEP-19   6U7X              
*TITLE     NMR SOLUTION STRUCTURE OF TRIAZOLE BRIDGED PLASMIN INHIBITOR          
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: GLY-ARG-ALA-TYR-LYS-SER-LYS-PRO-PRO-ILE-ALA-PHE-PRO-ASP;   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HELIANTHUS ANNUUS;                              
*SOURCE   4 ORGANISM_TAXID: 4232                                                 
*KEYWDS    TRIAZOLE, DISULFIDE MIMETIC, INHIBITOR, BIOSYNTHETIC PROTEIN          
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.M.WHITE,P.J.HARVEY,C.K.WANG,T.DUREK,D.J.CRAIK                       
*REVDAT   1   22-APR-20 6U7X    0                                                
# Restraints file 1: restraints.tbl
!distance restraints
assign (resid   2 and name   HN)   (resid   2 and name  HB2)   2.900    1.100    1.100  
assign (resid   2 and name   HN)   (resid   2 and name  HG2)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HG1)   3.650    1.850    1.850  
assign (resid   2 and name   HN)   (resid   2 and name  HB1)   2.900    1.100    1.100  
assign (resid   2 and name  HB1)   (resid   2 and name   HE)   3.170    1.370    1.370  
assign (resid   2 and name  HB2)   (resid   2 and name   HE)   3.170    1.370    1.370  
assign (resid   2 and name   HA)   (resid   3 and name   HN)   2.215    0.415    0.415  
assign (resid   4 and name   HN)   (resid   4 and name  HB1)   2.990    1.190    1.190  
assign (resid   3 and name   HA)   (resid   4 and name   HN)   2.375    0.575    0.575  
assign (resid   6 and name   HA)   (resid   7 and name   HN)   2.615    0.815    0.815  
assign (resid   8 and name   HA)   (resid   9 and name  HD1)   2.600    0.800    0.800  
assign (resid   8 and name   HA)   (resid   9 and name  HD2)   2.600    0.800    0.800  
assign (resid   9 and name   HA)   (resid  10 and name   HN)   2.355    0.555    0.555  
assign (resid  10 and name   HN)   (resid  10 and name   HB)   2.915    1.115    1.115  
assign (resid  10 and name   HA)   (resid  11 and name   HN)   2.260    0.460    0.460  
assign (resid  12 and name   HN)   (resid  12 and name  HB2)   2.590    0.790    0.790  
assign (resid  11 and name   HA)   (resid  12 and name   HN)   2.390    0.590    0.590  
assign (resid  12 and name   HA)   (resid  13 and name  HD2)   2.700    0.900    0.900  
assign (resid  12 and name   HA)   (resid  13 and name  HD1)   2.700    0.900    0.900  
assign (resid   1 and name   HN)   (resid  14 and name   HA)   3.010    1.210    1.210  
assign (resid   4 and name   HN)   (resid  11 and name   HA)   3.110    1.310    1.310  
assign (resid   3 and name   HA)   (resid  12 and name   HN)   3.200    1.400    1.400  
assign (resid   4 and name   HA)   (resid   5 and name   HN)   2.650    0.850    0.850  
assign (resid   4 and name   HN)   (resid   4 and name  HB2)   2.990    1.190    1.190  
assign (resid  12 and name   HA)   (resid  12 and name  HD#)   3.235    1.435    1.435  
assign (resid  11 and name   HD)   (resid  10 and name   HA)   3.240    1.440    1.440  
assign (resid   2 and name  HB2)   (resid  12 and name  HD#)   3.350    1.550    1.550  
assign (resid  12 and name  HB1)   (resid  14 and name   HN)   2.905    1.105    1.105  
assign (resid  12 and name  HB2)   (resid  14 and name   HN)   3.030    1.230    1.230  
assign (resid   2 and name   HN)   (resid  12 and name  HB2)   3.010    1.210    1.210  
assign (resid   9 and name  HB1)   (resid  10 and name   HN)   3.215    1.415    1.415  
assign (resid   9 and name  HB2)   (resid  10 and name   HN)   3.215    1.415    1.415  
assign (resid   1 and name   HN)   (resid   2 and name   HN)   2.780    0.980    0.980  
assign (resid   1 and name   HN)   (resid  14 and name   HN)   2.715    0.915    0.915  
assign (resid   2 and name   HN)   (resid  12 and name   HN)   3.125    1.325    1.325  
assign (resid   4 and name   HN)   (resid  10 and name   HN)   3.005    1.205    1.205  
assign (resid  11 and name   HD)   (resid  11 and name   HN)   2.900    1.100    1.100  
assign (resid   5 and name   HN)   (resid   6 and name   HN)   2.995    1.195    1.195  
assign (resid   4 and name   HN)   (resid   4 and name  HD#)   3.025    1.225    1.225  
assign (resid  12 and name   HN)   (resid  12 and name  HD#)   3.035    1.235    1.235  
assign (resid   1 and name   HN)   (resid  12 and name  HB2)   3.400    1.600    1.600  
assign (resid  10 and name   HB)   (resid  11 and name   HN)   3.335    1.535    1.535  
assign (resid  10 and name HG2#)   (resid  11 and name   HN)   3.225    1.425    1.425  
assign (resid   4 and name  HD#)   (resid  10 and name HG2#)   3.315    1.515    1.515  
assign (resid   2 and name  HB1)   (resid  12 and name  HD#)   3.350    1.550    1.550  
assign (resid   3 and name   HA)   (resid  11 and name   HA)   2.865    1.065    1.065  
assign (resid   7 and name   HN)   (resid   7 and name  HB2)   2.985    1.185    1.185  
assign (resid   7 and name   HN)   (resid   7 and name  HB1)   2.985    1.185    1.185  
assign (resid  10 and name   HN)   (resid  10 and name HG2#)   3.185    1.385    1.385  
assign (resid   1 and name   HN)   (resid  12 and name   HN)   3.650    1.850    1.850  
assign (resid   6 and name   HN)   (resid   7 and name   HN)   3.280    1.480    1.480  
assign (resid  10 and name   HA)   (resid  10 and name HG2#)   2.920    1.120    1.120  
assign (resid  10 and name   HA)   (resid  10 and name HD1#)   3.050    1.250    1.250  
assign (resid  10 and name   HB)   (resid  10 and name HD1#)   2.935    1.135    1.135  
assign (resid  10 and name HG2#)   (resid  12 and name  HE#)   3.020    1.220    1.220  
assign (resid   7 and name   HA)   (resid   9 and name  HD1)   3.175    1.375    1.375  
assign (resid   7 and name   HA)   (resid   9 and name  HD2)   3.175    1.375    1.375  
assign (resid   2 and name   HN)   (resid   2 and name  HB#)   2.540    0.740    0.740  
assign (resid   2 and name   HN)   (resid   2 and name  HG#)   3.265    1.465    1.465  
assign (resid   2 and name   HA)   (resid   2 and name  HG#)   2.755    0.955    0.955  
assign (resid   2 and name  HB#)   (resid   2 and name   HE)   2.885    1.085    1.085  
assign (resid   2 and name  HB#)   (resid   3 and name   HN)   3.100    1.300    1.300  
assign (resid   2 and name  HB#)   (resid  12 and name  HD#)   2.965    1.165    1.165  
assign (resid   3 and name   HN)   (resid   3 and name  HB#)   2.640    0.840    0.840  
assign (resid   3 and name   HN)   (resid   3 and name  HG#)   2.915    1.115    1.115  
assign (resid   3 and name  HB#)   (resid   4 and name   HN)   2.860    1.060    1.060  
assign (resid   3 and name  HG#)   (resid  11 and name   HA)   3.180    1.380    1.380  
assign (resid   3 and name  HG#)   (resid  11 and name  HB#)   3.110    1.310    1.310  
assign (resid   3 and name  HG#)   (resid  12 and name   HN)   3.285    1.485    1.485  
assign (resid  11 and name   HD)   (resid  11 and name  HB#)   2.580    0.780    0.780  
assign (resid   4 and name   HN)   (resid   4 and name  HB#)   2.635    0.835    0.835  
assign (resid   4 and name  HB#)   (resid   6 and name   HN)   3.340    1.540    1.540  
assign (resid   4 and name  HB#)   (resid  10 and name   HN)   3.140    1.340    1.340  
assign (resid   4 and name  HB#)   (resid  10 and name   HB)   3.265    1.465    1.465  
assign (resid   4 and name  HB#)   (resid  10 and name HG2#)   3.005    1.205    1.205  
assign (resid   5 and name   HN)   (resid   5 and name  HB#)   2.690    0.890    0.890  
assign (resid   5 and name   HN)   (resid   5 and name  HD#)   3.095    1.295    1.295  
assign (resid   5 and name   HN)   (resid   5 and name  HE#)   3.145    1.345    1.345  
assign (resid   5 and name  HG#)   (resid   5 and name  HZ#)   3.570    1.770    1.770  
assign (resid   6 and name  HB#)   (resid   7 and name   HN)   2.485    0.685    0.685  
assign (resid   7 and name   HN)   (resid   7 and name  HB#)   2.680    0.880    0.880  
assign (resid   7 and name   HA)   (resid   7 and name  HE#)   3.185    1.385    1.385  
assign (resid   7 and name   HA)   (resid   8 and name  HD#)   3.055    1.255    1.255  
assign (resid   7 and name   HA)   (resid   9 and name  HD#)   2.830    1.030    1.030  
assign (resid   8 and name   HA)   (resid   9 and name  HD#)   2.370    0.570    0.570  
assign (resid   8 and name  HB#)   (resid   9 and name  HD#)   2.705    0.905    0.905  
assign (resid  10 and name   HN)   (resid  10 and name HG1#)   3.145    1.345    1.345  
assign (resid  11 and name   HN)   (resid  11 and name  HB#)   2.695    0.895    0.895  
assign (resid  11 and name  HB#)   (resid  12 and name   HN)   2.770    0.970    0.970  
assign (resid  12 and name   HA)   (resid  13 and name  HD#)   2.420    0.620    0.620  
assign (resid  12 and name  HB2)   (resid  13 and name  HD#)   3.350    1.550    1.550  
assign (resid  12 and name  HB1)   (resid  13 and name  HD#)   2.650    0.850    0.850  
assign (resid  12 and name  HD#)   (resid  13 and name  HD#)   3.075    1.275    1.275  
assign (resid  13 and name  HB#)   (resid  14 and name   HN)   2.950    1.150    1.150  
assign (resid  13 and name  HD#)   (resid  14 and name   HN)   3.015    1.215    1.215  
assign (resid  14 and name   HN)   (resid  14 and name  HB#)   2.650    0.850    0.850  
assign (resid  11 and name   HD)   (resid   9 and name  HB#)   3.275    1.475    1.475  

!dihedral restraints
assign (resid 2     and name C    ) (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    )    1.0 -128.6   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name C    ) (resid 4     and name N    )    1.0  155.6   20.0 2
assign (resid 3     and name C    ) (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    )    1.0 -113.6   25.8 2
assign (resid 4     and name N    ) (resid 4     and name CA   ) (resid 4     and name C    ) (resid 5     and name N    )    1.0  129.7   25.5 2
assign (resid 5     and name C    ) (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    )    1.0  -93.6   56.1 2
assign (resid 6     and name N    ) (resid 6     and name CA   ) (resid 6     and name C    ) (resid 7     and name N    )    1.0  144.1   25.7 2
assign (resid 6     and name C    ) (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    )    1.0  -76.9   36.1 2
assign (resid 7     and name N    ) (resid 7     and name CA   ) (resid 7     and name C    ) (resid 8     and name N    )    1.0  139.0   29.8 2
assign (resid 8     and name N    ) (resid 8     and name CA   ) (resid 8     and name C    ) (resid 9     and name N    )    1.0  143.7   26.8 2
assign (resid 9     and name N    ) (resid 9     and name CA   ) (resid 9     and name C    ) (resid 10    and name N    )    1.0   81.0   61.1 2
assign (resid 9     and name C    ) (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    )    1.0 -121.3   35.0 2
assign (resid 10    and name N    ) (resid 10    and name CA   ) (resid 10    and name C    ) (resid 11    and name N    )    1.0  134.9   27.6 2
assign (resid 10    and name C    ) (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    )    1.0  -98.9   63.5 2
assign (resid 11    and name N    ) (resid 11    and name CA   ) (resid 11    and name C    ) (resid 12    and name N    )    1.0  123.8   30.0 2
assign (resid 11    and name C    ) (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    )    1.0 -113.8   34.0 2
assign (resid 12    and name N    ) (resid 12    and name CA   ) (resid 12    and name C    ) (resid 13    and name N    )    1.0   99.0   32.0 2
assign (resid 13    and name C    ) (resid 14    and name N    ) (resid 14    and name CA   ) (resid 14    and name C    )    1.0  -85.4   20.0 2
assign (resid 3     and name N    ) (resid 3     and name CA   ) (resid 3     and name CB   ) (resid 3     and name CG   )    1.0  -60.0   30.0 2

!HBonds
assign (resid 12 and name HN)(resid 2 and name O) 0 0 2
assign (resid 12 and name N)(resid 2 and name O) 0 0 3
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   GLY   1           H        GLY   1  -8.041  -0.441   1.946
    2    HA2  GLY   1          2HA       GLY   1  -7.286  -2.314   3.238
    3    HA3  GLY   1          1HA       GLY   1  -8.440  -3.316   2.367
    4    H    ARG   2           H        ARG   2  -6.133  -0.948   1.121
    5    HA   ARG   2           HA       ARG   2  -4.880  -3.169  -0.371
    6    HB2  ARG   2          2HB       ARG   2  -4.882  -0.408  -1.518
    7    HB3  ARG   2          1HB       ARG   2  -4.771  -1.946  -2.336
    8    HG2  ARG   2          2HG       ARG   2  -7.159  -2.317  -2.022
    9    HG3  ARG   2          1HG       ARG   2  -7.295  -0.779  -1.162
   10    HD2  ARG   2          2HD       ARG   2  -6.178   0.189  -3.321
   11    HD3  ARG   2          1HD       ARG   2  -6.758  -1.302  -4.053
   12    HE   ARG   2           HE       ARG   2  -8.809   0.079  -2.619
   13   HH11  ARG   2          1HH1      ARG   2  -7.206  -0.200  -5.757
   14   HH12  ARG   2          2HH1      ARG   2  -8.354   0.727  -6.586
   15   HH21  ARG   2          1HH2      ARG   2 -10.357   1.396  -3.707
   16   HH22  ARG   2          2HH2      ARG   2 -10.220   1.671  -5.390
   17    H    ALA   3           H        AZH   3  -3.163  -3.285   1.077
   18    HA   ALA   3           HA       AZH   3  -1.528  -0.871   1.321
   19    HB1  ALA   3          1HB       AZH   3  -0.379  -2.491   3.110
   20    HB2  ALA   3          2HB       AZH   3  -1.999  -3.166   3.144
   21    H    TYR   4           H        TYR   4   0.433  -0.794   0.562
   22    HA   TYR   4           HA       TYR   4   1.365  -3.126  -0.904
   23    HB2  TYR   4          2HB       TYR   4   1.948  -0.176  -1.253
   24    HB3  TYR   4          1HB       TYR   4   2.777  -1.445  -2.159
   25    HD1  TYR   4          1HD       TYR   4  -0.376   0.357  -1.670
   26    HD2  TYR   4          2HD       TYR   4   1.591  -2.657  -3.920
   27    HE1  TYR   4          1HE       TYR   4  -2.194   0.401  -3.303
   28    HE2  TYR   4          2HE       TYR   4  -0.223  -2.617  -5.569
   29    HH   TYR   4           HH       TYR   4  -2.559  -0.162  -5.675
   30    H    LYS   5           H        LYS   5   3.406  -3.878  -0.677
   31    HA   LYS   5           HA       LYS   5   4.589  -3.451   1.928
   32    HB2  LYS   5          2HB       LYS   5   5.221  -5.412  -0.282
   33    HB3  LYS   5          1HB       LYS   5   6.185  -5.289   1.172
   34    HG2  LYS   5          2HG       LYS   5   4.670  -7.165   1.343
   35    HG3  LYS   5          1HG       LYS   5   4.209  -5.942   2.514
   36    HD2  LYS   5          2HD       LYS   5   2.387  -5.224   1.068
   37    HD3  LYS   5          1HD       LYS   5   2.895  -6.378  -0.166
   38    HE2  LYS   5          2HE       LYS   5   2.426  -8.227   1.344
   39    HE3  LYS   5          1HE       LYS   5   1.974  -7.101   2.619
   40    HZ1  LYS   5          1HZ       LYS   5   0.049  -8.034   1.440
   41    HZ2  LYS   5          2HZ       LYS   5   0.580  -7.337   0.002
   42    HZ3  LYS   5          3HZ       LYS   5   0.118  -6.365   1.302
   43    H    SER   6           H        SER   6   5.289  -2.644  -1.358
   44    HA   SER   6           HA       SER   6   8.047  -2.120  -1.164
   45    HB2  SER   6          2HB       SER   6   6.024  -0.832  -2.978
   46    HB3  SER   6          1HB       SER   6   7.744  -1.083  -3.279
   47    HG   SER   6           HG       SER   6   7.099  -3.420  -2.891
   48    H    LYS   7           H        LYS   7   9.060   0.009  -1.106
   49    HA   LYS   7           HA       LYS   7   7.478   1.859   0.450
   50    HB2  LYS   7          2HB       LYS   7  10.485   1.580   0.265
   51    HB3  LYS   7          1HB       LYS   7   9.689   2.904   1.101
   52    HG2  LYS   7          2HG       LYS   7  10.262   1.368   2.786
   53    HG3  LYS   7          1HG       LYS   7   8.546   1.120   2.501
   54    HD2  LYS   7          2HD       LYS   7   9.077  -0.796   1.058
   55    HD3  LYS   7          1HD       LYS   7  10.790  -0.552   1.404
   56    HE2  LYS   7          2HE       LYS   7   9.960  -2.297   2.803
   57    HE3  LYS   7          1HE       LYS   7  10.307  -0.858   3.777
   58    HZ1  LYS   7          1HZ       LYS   7   7.952  -0.380   3.897
   59    HZ2  LYS   7          2HZ       LYS   7   8.236  -1.970   4.375
   60    HZ3  LYS   7          3HZ       LYS   7   7.605  -1.677   2.854
   61    HA   PRO   8           HA       PRO   8   7.385   4.166   0.914
   62    HB2  PRO   8          2HB       PRO   8   5.445   5.837   0.048
   63    HB3  PRO   8          1HB       PRO   8   7.140   6.336   0.134
   64    HG2  PRO   8          2HG       PRO   8   5.591   5.340  -2.234
   65    HG3  PRO   8          1HG       PRO   8   6.643   6.762  -2.126
   66    HD2  PRO   8          2HD       PRO   8   7.518   4.468  -3.186
   67    HD3  PRO   8          1HD       PRO   8   8.574   5.494  -2.199
   68    HA   PRO   9           HA       PRO   9   4.081   1.189   0.715
   69    HB2  PRO   9          2HB       PRO   9   3.247   1.359   3.301
   70    HB3  PRO   9          1HB       PRO   9   4.692   0.470   2.808
   71    HG2  PRO   9          2HG       PRO   9   4.451   3.163   4.045
   72    HG3  PRO   9          1HG       PRO   9   5.687   1.918   4.301
   73    HD2  PRO   9          2HD       PRO   9   6.032   4.142   2.720
   74    HD3  PRO   9          1HD       PRO   9   6.930   2.628   2.517
   75    H    ILE  10           H        ILE  10   2.506   1.920  -0.464
   76    HA   ILE  10           HA       ILE  10   0.866   4.159   0.403
   77    HB   ILE  10           HB       ILE  10   0.818   2.508  -2.141
   78   HG12  ILE  10          2HG1      ILE  10   2.879   3.798  -1.989
   79   HG13  ILE  10          1HG1      ILE  10   1.837   4.480  -3.230
   80   HG21  ILE  10          1HG2      ILE  10  -1.346   3.439  -1.699
   81   HG22  ILE  10          2HG2      ILE  10  -0.603   4.259  -3.074
   82   HG23  ILE  10          3HG2      ILE  10  -0.656   5.052  -1.494
   83   HD11  ILE  10          1HD1      ILE  10   1.183   6.264  -1.683
   84   HD12  ILE  10          2HD1      ILE  10   2.927   6.218  -1.935
   85   HD13  ILE  10          3HD1      ILE  10   2.237   5.575  -0.448
   86    H    ALA  11           H        PRG  11  -1.092   3.826   1.371
   87    HA   ALA  11           HA       PRG  11  -2.284   1.194   1.026
   88    HB1  ALA  11          1HB       PRG  11  -3.145   1.257   3.327
   89    HB2  ALA  11          2HB       PRG  11  -2.367   2.802   3.596
   90    H    PHE  12           H        PHE  12  -4.174   1.254   0.279
   91    HA   PHE  12           HA       PHE  12  -5.695   3.755   0.214
   92    HB2  PHE  12          2HB       PHE  12  -6.094   1.155  -1.300
   93    HB3  PHE  12          1HB       PHE  12  -7.159   2.540  -1.416
   94    HD1  PHE  12          1HD       PHE  12  -3.703   1.390  -2.105
   95    HD2  PHE  12          2HD       PHE  12  -6.702   4.297  -2.850
   96    HE1  PHE  12          1HE       PHE  12  -2.349   2.324  -3.955
   97    HE2  PHE  12          2HE       PHE  12  -5.356   5.231  -4.681
   98    HZ   PHE  12           HZ       PHE  12  -3.174   4.232  -5.225
   99    HA   PRO  13           HA       PRO  13  -7.942   2.441   3.736
  100    HB2  PRO  13          2HB       PRO  13 -10.331   3.692   3.252
  101    HB3  PRO  13          1HB       PRO  13  -8.895   4.494   3.897
  102    HG2  PRO  13          2HG       PRO  13  -9.880   4.363   1.072
  103    HG3  PRO  13          1HG       PRO  13  -9.271   5.758   1.983
  104    HD2  PRO  13          2HD       PRO  13  -7.706   4.515   0.237
  105    HD3  PRO  13          1HD       PRO  13  -7.042   5.054   1.795
  106    H    ASP  14           H        ASP  14  -8.942   1.482   0.651
  107    HA   ASP  14           HA       ASP  14 -11.287  -0.008   1.463
  108    HB2  ASP  14          2HB       ASP  14  -9.649  -0.288  -1.069
  109    HB3  ASP  14          1HB       ASP  14 -11.204  -1.045  -0.775
  110    H1   WMH 101          1HG       AZH   3  -2.008  -1.599   4.853
  111    H2   WMH 101          2HG       AZH   3  -2.793  -0.757   3.520
  112    H5   WMH 101           HD       PRG  11   0.393   2.795   3.645
  Start of MODEL    2
    1    H1   GLY   1           H        GLY   1  -7.941  -0.658   1.866
    2    HA2  GLY   1          2HA       GLY   1  -7.083  -2.584   3.116
    3    HA3  GLY   1          1HA       GLY   1  -8.323  -3.544   2.320
    4    H    ARG   2           H        ARG   2  -6.050  -1.164   1.062
    5    HA   ARG   2           HA       ARG   2  -4.732  -3.298  -0.411
    6    HB2  ARG   2          2HB       ARG   2  -5.865  -0.780  -1.596
    7    HB3  ARG   2          1HB       ARG   2  -4.539  -1.642  -2.357
    8    HG2  ARG   2          2HG       ARG   2  -5.920  -3.583  -2.662
    9    HG3  ARG   2          1HG       ARG   2  -7.236  -2.832  -1.751
   10    HD2  ARG   2          2HD       ARG   2  -6.052  -1.703  -4.270
   11    HD3  ARG   2          1HD       ARG   2  -7.507  -2.704  -4.230
   12    HE   ARG   2           HE       ARG   2  -8.169  -0.831  -2.493
   13   HH11  ARG   2          1HH1      ARG   2  -6.782  -0.466  -5.744
   14   HH12  ARG   2          2HH1      ARG   2  -7.439   1.103  -5.947
   15   HH21  ARG   2          1HH2      ARG   2  -9.005   1.238  -2.794
   16   HH22  ARG   2          2HH2      ARG   2  -8.729   2.099  -4.252
   17    H    ALA   3           H        AZH   3  -2.872  -3.256   0.561
   18    HA   ALA   3           HA       AZH   3  -1.486  -0.688   0.747
   19    HB1  ALA   3          1HB       AZH   3  -0.133  -2.178   2.496
   20    HB2  ALA   3          2HB       AZH   3  -1.703  -2.950   2.632
   21    H    TYR   4           H        TYR   4   0.336  -0.507  -0.259
   22    HA   TYR   4           HA       TYR   4   1.507  -2.813  -1.534
   23    HB2  TYR   4          2HB       TYR   4   2.210   0.142  -1.579
   24    HB3  TYR   4          1HB       TYR   4   3.149  -1.089  -2.418
   25    HD1  TYR   4          1HD       TYR   4   0.008   0.801  -2.397
   26    HD2  TYR   4          2HD       TYR   4   2.274  -2.178  -4.394
   27    HE1  TYR   4          1HE       TYR   4  -1.488   0.967  -4.331
   28    HE2  TYR   4          2HE       TYR   4   0.792  -2.027  -6.326
   29    HH   TYR   4           HH       TYR   4  -1.545  -1.334  -6.769
   30    H    LYS   5           H        LYS   5   3.028  -3.934  -0.562
   31    HA   LYS   5           HA       LYS   5   3.867  -3.062   2.056
   32    HB2  LYS   5          2HB       LYS   5   4.540  -5.596   0.572
   33    HB3  LYS   5          1HB       LYS   5   4.942  -5.279   2.253
   34    HG2  LYS   5          2HG       LYS   5   2.519  -5.046   2.742
   35    HG3  LYS   5          1HG       LYS   5   2.172  -5.504   1.085
   36    HD2  LYS   5          2HD       LYS   5   3.687  -7.251   3.033
   37    HD3  LYS   5          1HD       LYS   5   1.951  -7.334   2.808
   38    HE2  LYS   5          2HE       LYS   5   2.916  -9.102   1.538
   39    HE3  LYS   5          1HE       LYS   5   2.375  -7.887   0.392
   40    HZ1  LYS   5          1HZ       LYS   5   4.667  -7.197   0.073
   41    HZ2  LYS   5          2HZ       LYS   5   4.563  -8.852  -0.125
   42    HZ3  LYS   5          3HZ       LYS   5   5.187  -8.219   1.306
   43    H    SER   6           H        SER   6   4.978  -2.553  -0.966
   44    HA   SER   6           HA       SER   6   7.781  -2.483  -0.392
   45    HB2  SER   6          2HB       SER   6   7.728  -1.359  -2.685
   46    HB3  SER   6          1HB       SER   6   7.139  -3.023  -2.618
   47    HG   SER   6           HG       SER   6   5.641  -0.631  -2.685
   48    H    LYS   7           H        LYS   7   8.955  -0.531  -0.141
   49    HA   LYS   7           HA       LYS   7   7.339   1.749   0.733
   50    HB2  LYS   7          2HB       LYS   7  10.315   1.239   1.045
   51    HB3  LYS   7          1HB       LYS   7   9.426   2.591   1.732
   52    HG2  LYS   7          2HG       LYS   7   8.137   1.033   3.118
   53    HG3  LYS   7          1HG       LYS   7   9.032  -0.317   2.426
   54    HD2  LYS   7          2HD       LYS   7   9.965   0.224   4.583
   55    HD3  LYS   7          1HD       LYS   7  11.128   0.667   3.335
   56    HE2  LYS   7          2HE       LYS   7  10.431   3.008   3.512
   57    HE3  LYS   7          1HE       LYS   7   9.233   2.571   4.724
   58    HZ1  LYS   7          1HZ       LYS   7  11.187   3.462   5.755
   59    HZ2  LYS   7          2HZ       LYS   7  12.180   2.358   4.988
   60    HZ3  LYS   7          3HZ       LYS   7  11.091   1.830   6.162
   61    HA   PRO   8           HA       PRO   8   7.685   4.224   0.879
   62    HB2  PRO   8          2HB       PRO   8   6.114   5.602  -1.213
   63    HB3  PRO   8          1HB       PRO   8   7.117   6.291   0.068
   64    HG2  PRO   8          2HG       PRO   8   7.944   6.366  -2.452
   65    HG3  PRO   8          1HG       PRO   8   9.086   6.008  -1.143
   66    HD2  PRO   8          2HD       PRO   8   7.707   4.103  -3.010
   67    HD3  PRO   8          1HD       PRO   8   9.424   4.178  -2.562
   68    HA   PRO   9           HA       PRO   9   4.025   1.738   1.165
   69    HB2  PRO   9          2HB       PRO   9   2.981   2.838   3.406
   70    HB3  PRO   9          1HB       PRO   9   4.396   1.789   3.445
   71    HG2  PRO   9          2HG       PRO   9   4.258   4.773   3.507
   72    HG3  PRO   9          1HG       PRO   9   5.257   3.673   4.474
   73    HD2  PRO   9          2HD       PRO   9   6.212   5.001   2.329
   74    HD3  PRO   9          1HD       PRO   9   6.792   3.387   2.784
   75    H    ILE  10           H        ILE  10   2.569   2.128  -0.404
   76    HA   ILE  10           HA       ILE  10   0.845   4.489  -0.122
   77    HB   ILE  10           HB       ILE  10   1.241   2.694  -2.553
   78   HG12  ILE  10          2HG1      ILE  10   2.145   5.545  -2.061
   79   HG13  ILE  10          1HG1      ILE  10   3.190   4.133  -2.089
   80   HG21  ILE  10          1HG2      ILE  10  -1.034   3.593  -2.450
   81   HG22  ILE  10          2HG2      ILE  10  -0.131   4.346  -3.765
   82   HG23  ILE  10          3HG2      ILE  10  -0.394   5.225  -2.259
   83   HD11  ILE  10          1HD1      ILE  10   1.611   5.214  -4.409
   84   HD12  ILE  10          2HD1      ILE  10   2.663   3.801  -4.447
   85   HD13  ILE  10          3HD1      ILE  10   3.346   5.401  -4.152
   86    H    ALA  11           H        PRG  11  -1.161   4.093   0.668
   87    HA   ALA  11           HA       PRG  11  -2.210   1.376   0.388
   88    HB1  ALA  11          1HB       PRG  11  -3.041   1.373   2.680
   89    HB2  ALA  11          2HB       PRG  11  -2.351   2.955   2.963
   90    H    PHE  12           H        PHE  12  -4.392   1.211   0.473
   91    HA   PHE  12           HA       PHE  12  -5.933   3.687   0.367
   92    HB2  PHE  12          2HB       PHE  12  -6.424   1.086  -1.110
   93    HB3  PHE  12          1HB       PHE  12  -7.524   2.451  -1.107
   94    HD1  PHE  12          1HD       PHE  12  -4.521   1.030  -2.533
   95    HD2  PHE  12          2HD       PHE  12  -6.863   4.567  -2.205
   96    HE1  PHE  12          1HE       PHE  12  -3.365   1.982  -4.491
   97    HE2  PHE  12          2HE       PHE  12  -5.709   5.516  -4.153
   98    HZ   PHE  12           HZ       PHE  12  -3.964   4.226  -5.297
   99    HA   PRO  13           HA       PRO  13  -7.636   2.112   4.158
  100    HB2  PRO  13          2HB       PRO  13 -10.104   3.550   3.383
  101    HB3  PRO  13          1HB       PRO  13  -9.127   3.703   4.846
  102    HG2  PRO  13          2HG       PRO  13  -9.027   5.584   2.984
  103    HG3  PRO  13          1HG       PRO  13  -7.545   5.054   3.803
  104    HD2  PRO  13          2HD       PRO  13  -8.557   4.346   1.074
  105    HD3  PRO  13          1HD       PRO  13  -6.913   4.757   1.609
  106    H    ASP  14           H        ASP  14  -9.139   1.367   1.163
  107    HA   ASP  14           HA       ASP  14 -11.237  -0.243   2.289
  108    HB2  ASP  14          2HB       ASP  14 -11.591  -1.077  -0.028
  109    HB3  ASP  14          1HB       ASP  14 -11.617   0.675   0.067
  110    H1   WMH 101          1HG       AZH   3  -1.762  -1.360   4.297
  111    H2   WMH 101          2HG       AZH   3  -2.609  -0.573   2.970
  112    H5   WMH 101           HD       PRG  11   0.407   3.100   2.953
  Start of MODEL    3
    1    H1   GLY   1           H        GLY   1  -7.943  -0.463   1.811
    2    HA2  GLY   1          2HA       GLY   1  -7.160  -2.122   3.368
    3    HA3  GLY   1          1HA       GLY   1  -8.324  -3.254   2.677
    4    H    ARG   2           H        ARG   2  -6.070  -1.067   1.111
    5    HA   ARG   2           HA       ARG   2  -4.709  -3.399  -0.059
    6    HB2  ARG   2          2HB       ARG   2  -5.367  -0.837  -1.537
    7    HB3  ARG   2          1HB       ARG   2  -4.590  -2.261  -2.209
    8    HG2  ARG   2          2HG       ARG   2  -6.635  -3.537  -1.902
    9    HG3  ARG   2          1HG       ARG   2  -7.418  -2.129  -1.188
   10    HD2  ARG   2          2HD       ARG   2  -7.021  -0.920  -3.338
   11    HD3  ARG   2          1HD       ARG   2  -6.438  -2.439  -4.025
   12    HE   ARG   2           HE       ARG   2  -9.028  -2.629  -2.794
   13   HH11  ARG   2          1HH1      ARG   2  -7.438  -1.718  -5.835
   14   HH12  ARG   2          2HH1      ARG   2  -8.759  -2.163  -6.793
   15   HH21  ARG   2          1HH2      ARG   2 -10.819  -3.196  -4.111
   16   HH22  ARG   2          2HH2      ARG   2 -10.732  -3.015  -5.801
   17    H    ALA   3           H        AZH   3  -2.876  -3.242   1.075
   18    HA   ALA   3           HA       AZH   3  -1.516  -0.646   1.201
   19    HB1  ALA   3          1HB       AZH   3  -0.171  -2.071   2.986
   20    HB2  ALA   3          2HB       AZH   3  -1.694  -2.940   3.068
   21    H    TYR   4           H        TYR   4   0.401  -0.420   0.312
   22    HA   TYR   4           HA       TYR   4   1.525  -2.659  -1.129
   23    HB2  TYR   4          2HB       TYR   4   2.220   0.286  -1.070
   24    HB3  TYR   4          1HB       TYR   4   3.142  -0.903  -1.989
   25    HD1  TYR   4          1HD       TYR   4  -0.023   0.903  -1.709
   26    HD2  TYR   4          2HD       TYR   4   2.228  -1.843  -4.031
   27    HE1  TYR   4          1HE       TYR   4  -1.582   1.210  -3.551
   28    HE2  TYR   4          2HE       TYR   4   0.676  -1.554  -5.892
   29    HH   TYR   4           HH       TYR   4  -1.747  -0.848  -6.167
   30    H    LYS   5           H        LYS   5   3.472  -3.533  -0.737
   31    HA   LYS   5           HA       LYS   5   4.486  -3.153   1.961
   32    HB2  LYS   5          2HB       LYS   5   5.162  -5.247  -0.112
   33    HB3  LYS   5          1HB       LYS   5   5.665  -5.257   1.573
   34    HG2  LYS   5          2HG       LYS   5   3.384  -5.473   2.298
   35    HG3  LYS   5          1HG       LYS   5   2.812  -5.367   0.631
   36    HD2  LYS   5          2HD       LYS   5   4.060  -7.414   0.119
   37    HD3  LYS   5          1HD       LYS   5   4.543  -7.527   1.814
   38    HE2  LYS   5          2HE       LYS   5   1.717  -7.577   0.758
   39    HE3  LYS   5          1HE       LYS   5   2.623  -8.968   1.341
   40    HZ1  LYS   5          1HZ       LYS   5   1.849  -6.608   2.979
   41    HZ2  LYS   5          2HZ       LYS   5   2.712  -7.940   3.535
   42    HZ3  LYS   5          3HZ       LYS   5   1.120  -8.119   3.042
   43    H    SER   6           H        SER   6   5.498  -3.132  -1.394
   44    HA   SER   6           HA       SER   6   8.153  -2.403  -0.955
   45    HB2  SER   6          2HB       SER   6   6.370  -1.900  -3.348
   46    HB3  SER   6          1HB       SER   6   8.138  -1.883  -3.338
   47    HG   SER   6           HG       SER   6   7.735  -3.873  -3.957
   48    H    LYS   7           H        LYS   7   8.993  -0.508  -0.493
   49    HA   LYS   7           HA       LYS   7   7.261   1.572   0.427
   50    HB2  LYS   7          2HB       LYS   7  10.271   1.603   0.242
   51    HB3  LYS   7          1HB       LYS   7   9.261   2.580   1.295
   52    HG2  LYS   7          2HG       LYS   7   9.661  -0.405   1.460
   53    HG3  LYS   7          1HG       LYS   7  10.313   0.801   2.562
   54    HD2  LYS   7          2HD       LYS   7   8.049   1.392   3.257
   55    HD3  LYS   7          1HD       LYS   7   7.386   0.209   2.127
   56    HE2  LYS   7          2HE       LYS   7   9.184  -0.379   4.469
   57    HE3  LYS   7          1HE       LYS   7   7.448  -0.664   4.410
   58    HZ1  LYS   7          1HZ       LYS   7   8.595  -2.708   3.980
   59    HZ2  LYS   7          2HZ       LYS   7   9.530  -2.040   2.767
   60    HZ3  LYS   7          3HZ       LYS   7   7.864  -2.222   2.552
   61    HA   PRO   8           HA       PRO   8   7.451   3.920   0.868
   62    HB2  PRO   8          2HB       PRO   8   5.578   5.725   0.092
   63    HB3  PRO   8          1HB       PRO   8   7.306   6.091   0.105
   64    HG2  PRO   8          2HG       PRO   8   5.550   5.306  -2.186
   65    HG3  PRO   8          1HG       PRO   8   6.812   6.548  -2.123
   66    HD2  PRO   8          2HD       PRO   8   7.216   4.101  -3.225
   67    HD3  PRO   8          1HD       PRO   8   8.508   5.017  -2.427
   68    HA   PRO   9           HA       PRO   9   3.904   1.315   1.162
   69    HB2  PRO   9          2HB       PRO   9   3.140   1.865   3.712
   70    HB3  PRO   9          1HB       PRO   9   4.547   0.869   3.328
   71    HG2  PRO   9          2HG       PRO   9   4.421   3.706   4.209
   72    HG3  PRO   9          1HG       PRO   9   5.632   2.468   4.574
   73    HD2  PRO   9          2HD       PRO   9   5.921   4.479   2.693
   74    HD3  PRO   9          1HD       PRO   9   6.855   2.973   2.719
   75    H    ILE  10           H        ILE  10   2.584   2.226  -0.267
   76    HA   ILE  10           HA       ILE  10   0.856   4.447   0.477
   77    HB   ILE  10           HB       ILE  10   0.957   2.776  -2.059
   78   HG12  ILE  10          2HG1      ILE  10   3.048   3.985  -1.827
   79   HG13  ILE  10          1HG1      ILE  10   2.091   4.720  -3.105
   80   HG21  ILE  10          1HG2      ILE  10  -0.344   4.567  -3.103
   81   HG22  ILE  10          2HG2      ILE  10  -0.473   5.372  -1.535
   82   HG23  ILE  10          3HG2      ILE  10  -1.205   3.781  -1.777
   83   HD11  ILE  10          1HD1      ILE  10   3.179   6.411  -1.762
   84   HD12  ILE  10          2HD1      ILE  10   2.437   5.766  -0.302
   85   HD13  ILE  10          3HD1      ILE  10   1.430   6.501  -1.549
   86    H    ALA  11           H        PRG  11  -1.272   4.068   1.141
   87    HA   ALA  11           HA       PRG  11  -2.215   1.333   0.804
   88    HB1  ALA  11          1HB       PRG  11  -3.246   1.333   3.024
   89    HB2  ALA  11          2HB       PRG  11  -2.648   2.947   3.334
   90    H    PHE  12           H        PHE  12  -4.289   1.155   0.379
   91    HA   PHE  12           HA       PHE  12  -5.817   3.633   0.108
   92    HB2  PHE  12          2HB       PHE  12  -6.268   0.948  -1.244
   93    HB3  PHE  12          1HB       PHE  12  -7.307   2.346  -1.425
   94    HD1  PHE  12          1HD       PHE  12  -6.157   4.506  -2.325
   95    HD2  PHE  12          2HD       PHE  12  -4.570   0.580  -2.802
   96    HE1  PHE  12          1HE       PHE  12  -4.845   5.272  -4.239
   97    HE2  PHE  12          2HE       PHE  12  -3.253   1.349  -4.722
   98    HZ   PHE  12           HZ       PHE  12  -3.380   3.700  -5.440
   99    HA   PRO  13           HA       PRO  13  -8.093   2.430   3.773
  100    HB2  PRO  13          2HB       PRO  13 -10.497   3.591   2.736
  101    HB3  PRO  13          1HB       PRO  13  -9.424   4.232   3.970
  102    HG2  PRO  13          2HG       PRO  13  -9.624   4.939   1.140
  103    HG3  PRO  13          1HG       PRO  13  -8.849   5.819   2.460
  104    HD2  PRO  13          2HD       PRO  13  -7.529   4.566   0.432
  105    HD3  PRO  13          1HD       PRO  13  -6.819   4.880   2.026
  106    H    ASP  14           H        ASP  14  -9.069   1.528   0.613
  107    HA   ASP  14           HA       ASP  14 -11.269  -0.156   1.211
  108    HB2  ASP  14          2HB       ASP  14 -10.794   0.530  -1.085
  109    HB3  ASP  14          1HB       ASP  14  -9.248  -0.303  -1.044
  110    H1   WMH 101          1HG       AZH   3  -1.918  -1.385   4.735
  111    H2   WMH 101          2HG       AZH   3  -2.746  -0.602   3.397
  112    H5   WMH 101           HD       PRG  11   0.065   3.219   3.658
  Start of MODEL    4
    1    H1   GLY   1           H        GLY   1  -8.152  -0.728   1.921
    2    HA2  GLY   1          2HA       GLY   1  -7.292  -2.666   2.903
    3    HA3  GLY   1          1HA       GLY   1  -8.398  -3.621   1.922
    4    H    ARG   2           H        ARG   2  -5.996  -1.163   1.107
    5    HA   ARG   2           HA       ARG   2  -4.649  -3.183  -0.535
    6    HB2  ARG   2          2HB       ARG   2  -6.310  -1.730  -1.788
    7    HB3  ARG   2          1HB       ARG   2  -5.216  -0.397  -1.475
    8    HG2  ARG   2          2HG       ARG   2  -3.453  -1.500  -2.723
    9    HG3  ARG   2          1HG       ARG   2  -4.507  -2.887  -3.014
   10    HD2  ARG   2          2HD       ARG   2  -4.829  -0.067  -4.036
   11    HD3  ARG   2          1HD       ARG   2  -4.592  -1.537  -4.981
   12    HE   ARG   2           HE       ARG   2  -7.021  -1.200  -3.347
   13   HH11  ARG   2          1HH1      ARG   2  -5.670  -1.692  -6.614
   14   HH12  ARG   2          2HH1      ARG   2  -7.229  -1.856  -7.286
   15   HH21  ARG   2          1HH2      ARG   2  -8.966  -1.440  -4.279
   16   HH22  ARG   2          2HH2      ARG   2  -9.153  -1.726  -5.965
   17    H    ALA   3           H        AZH   3  -2.888  -3.261   0.722
   18    HA   ALA   3           HA       AZH   3  -1.488  -0.768   1.313
   19    HB1  ALA   3          1HB       AZH   3  -0.140  -2.556   2.767
   20    HB2  ALA   3          2HB       AZH   3  -1.693  -3.364   2.719
   21    H    TYR   4           H        TYR   4   0.359  -0.345   0.486
   22    HA   TYR   4           HA       TYR   4   1.713  -2.408  -1.030
   23    HB2  TYR   4          2HB       TYR   4   1.923   0.609  -1.039
   24    HB3  TYR   4          1HB       TYR   4   3.117  -0.418  -1.825
   25    HD1  TYR   4          1HD       TYR   4  -0.455   0.572  -1.859
   26    HD2  TYR   4          2HD       TYR   4   2.691  -1.395  -3.924
   27    HE1  TYR   4          1HE       TYR   4  -1.859   0.437  -3.875
   28    HE2  TYR   4          2HE       TYR   4   1.312  -1.519  -5.931
   29    HH   TYR   4           HH       TYR   4  -1.478   0.238  -6.356
   30    H    LYS   5           H        LYS   5   2.957  -3.510   0.206
   31    HA   LYS   5           HA       LYS   5   4.163  -2.289   2.528
   32    HB2  LYS   5          2HB       LYS   5   4.160  -5.149   1.558
   33    HB3  LYS   5          1HB       LYS   5   4.925  -4.613   3.051
   34    HG2  LYS   5          2HG       LYS   5   2.743  -3.834   3.884
   35    HG3  LYS   5          1HG       LYS   5   1.988  -4.397   2.400
   36    HD2  LYS   5          2HD       LYS   5   3.455  -6.157   4.367
   37    HD3  LYS   5          1HD       LYS   5   1.705  -5.951   4.303
   38    HE2  LYS   5          2HE       LYS   5   1.694  -6.828   2.023
   39    HE3  LYS   5          1HE       LYS   5   3.443  -7.051   2.095
   40    HZ1  LYS   5          1HZ       LYS   5   2.367  -9.111   2.532
   41    HZ2  LYS   5          2HZ       LYS   5   1.375  -8.443   3.703
   42    HZ3  LYS   5          3HZ       LYS   5   3.024  -8.584   3.990
   43    H    SER   6           H        SER   6   4.864  -2.709  -0.632
   44    HA   SER   6           HA       SER   6   7.746  -2.698  -0.410
   45    HB2  SER   6          2HB       SER   6   5.939  -2.055  -2.764
   46    HB3  SER   6          1HB       SER   6   7.640  -2.525  -2.830
   47    HG   SER   6           HG       SER   6   7.094  -4.514  -2.700
   48    H    LYS   7           H        LYS   7   8.814  -0.619  -1.476
   49    HA   LYS   7           HA       LYS   7   7.367   1.608  -0.300
   50    HB2  LYS   7          2HB       LYS   7   9.513   2.875  -0.444
   51    HB3  LYS   7          1HB       LYS   7   9.565   1.458   0.590
   52    HG2  LYS   7          2HG       LYS   7  10.759   0.235  -1.134
   53    HG3  LYS   7          1HG       LYS   7  10.650   1.631  -2.213
   54    HD2  LYS   7          2HD       LYS   7  12.857   1.510  -1.145
   55    HD3  LYS   7          1HD       LYS   7  11.984   2.952  -0.640
   56    HE2  LYS   7          2HE       LYS   7  11.349   1.830   1.457
   57    HE3  LYS   7          1HE       LYS   7  12.218   0.387   0.938
   58    HZ1  LYS   7          1HZ       LYS   7  13.456   1.811   2.488
   59    HZ2  LYS   7          2HZ       LYS   7  13.491   3.032   1.315
   60    HZ3  LYS   7          3HZ       LYS   7  14.248   1.558   1.033
   61    HA   PRO   8           HA       PRO   8   7.629   3.911  -0.332
   62    HB2  PRO   8          2HB       PRO   8   5.432   5.520  -1.362
   63    HB3  PRO   8          1HB       PRO   8   7.057   6.037  -0.912
   64    HG2  PRO   8          2HG       PRO   8   6.204   6.025  -3.470
   65    HG3  PRO   8          1HG       PRO   8   7.891   5.714  -3.033
   66    HD2  PRO   8          2HD       PRO   8   5.722   3.746  -3.695
   67    HD3  PRO   8          1HD       PRO   8   7.400   3.789  -4.276
   68    HA   PRO   9           HA       PRO   9   4.249   1.589   1.399
   69    HB2  PRO   9          2HB       PRO   9   4.203   2.792   3.862
   70    HB3  PRO   9          1HB       PRO   9   5.368   1.543   3.417
   71    HG2  PRO   9          2HG       PRO   9   5.696   4.511   3.477
   72    HG3  PRO   9          1HG       PRO   9   6.840   3.252   3.971
   73    HD2  PRO   9          2HD       PRO   9   7.044   4.565   1.627
   74    HD3  PRO   9          1HD       PRO   9   7.534   2.869   1.798
   75    H    ILE  10           H        ILE  10   2.302   2.034   0.680
   76    HA   ILE  10           HA       ILE  10   0.920   4.353   1.715
   77    HB   ILE  10           HB       ILE  10   1.698   5.128  -0.467
   78   HG12  ILE  10          2HG1      ILE  10  -0.494   5.581  -1.617
   79   HG13  ILE  10          1HG1      ILE  10  -1.248   4.463  -0.491
   80   HG21  ILE  10          1HG2      ILE  10   1.072   4.060  -2.577
   81   HG22  ILE  10          2HG2      ILE  10   0.400   2.704  -1.671
   82   HG23  ILE  10          3HG2      ILE  10   2.126   3.053  -1.584
   83   HD11  ILE  10          1HD1      ILE  10  -1.566   6.780   0.176
   84   HD12  ILE  10          2HD1      ILE  10   0.181   7.002   0.258
   85   HD13  ILE  10          3HD1      ILE  10  -0.622   5.894   1.373
   86    H    ALA  11           H        PRG  11  -1.141   3.856   2.313
   87    HA   ALA  11           HA       PRG  11  -2.124   1.268   1.410
   88    HB1  ALA  11          1HB       PRG  11  -3.100   0.867   3.628
   89    HB2  ALA  11          2HB       PRG  11  -2.437   2.381   4.211
   90    H    PHE  12           H        PHE  12  -3.941   1.342   0.517
   91    HA   PHE  12           HA       PHE  12  -5.493   3.775   0.640
   92    HB2  PHE  12          2HB       PHE  12  -5.726   1.417  -1.253
   93    HB3  PHE  12          1HB       PHE  12  -6.635   2.910  -1.357
   94    HD1  PHE  12          1HD       PHE  12  -3.349   1.368  -1.864
   95    HD2  PHE  12          2HD       PHE  12  -5.631   4.942  -2.159
   96    HE1  PHE  12          1HE       PHE  12  -1.586   2.386  -3.263
   97    HE2  PHE  12          2HE       PHE  12  -3.868   5.951  -3.557
   98    HZ   PHE  12           HZ       PHE  12  -1.854   4.672  -4.105
   99    HA   PRO  13           HA       PRO  13  -8.220   1.970   3.639
  100    HB2  PRO  13          2HB       PRO  13 -10.362   3.619   2.485
  101    HB3  PRO  13          1HB       PRO  13  -9.678   3.614   4.112
  102    HG2  PRO  13          2HG       PRO  13  -9.164   5.594   2.382
  103    HG3  PRO  13          1HG       PRO  13  -7.955   5.022   3.540
  104    HD2  PRO  13          2HD       PRO  13  -8.186   4.485   0.619
  105    HD3  PRO  13          1HD       PRO  13  -6.753   4.779   1.633
  106    H    ASP  14           H        ASP  14  -8.517   1.058   0.519
  107    HA   ASP  14           HA       ASP  14 -11.086  -0.288   0.934
  108    HB2  ASP  14          2HB       ASP  14 -11.051  -0.856  -1.417
  109    HB3  ASP  14          1HB       ASP  14 -10.685   0.856  -1.267
  110    H1   WMH 101          1HG       AZH   3  -1.813  -2.146   4.659
  111    H2   WMH 101          2HG       AZH   3  -2.650  -1.108   3.506
  112    H5   WMH 101           HD       PRG  11   0.334   2.525   4.352
  Start of MODEL    5
    1    H1   GLY   1           H        GLY   1  -7.865  -0.355   1.917
    2    HA2  GLY   1          2HA       GLY   1  -7.101  -2.045   3.449
    3    HA3  GLY   1          1HA       GLY   1  -8.263  -3.158   2.730
    4    H    ARG   2           H        ARG   2  -6.328  -0.986   0.846
    5    HA   ARG   2           HA       ARG   2  -4.965  -3.334  -0.278
    6    HB2  ARG   2          2HB       ARG   2  -5.498  -0.692  -1.654
    7    HB3  ARG   2          1HB       ARG   2  -4.824  -2.140  -2.388
    8    HG2  ARG   2          2HG       ARG   2  -6.923  -3.322  -2.012
    9    HG3  ARG   2          1HG       ARG   2  -7.598  -1.881  -1.261
   10    HD2  ARG   2          2HD       ARG   2  -7.231  -0.679  -3.409
   11    HD3  ARG   2          1HD       ARG   2  -6.742  -2.215  -4.127
   12    HE   ARG   2           HE       ARG   2  -9.256  -2.393  -2.807
   13   HH11  ARG   2          1HH1      ARG   2  -7.779  -1.350  -5.865
   14   HH12  ARG   2          2HH1      ARG   2  -9.227  -1.499  -6.746
   15   HH21  ARG   2          1HH2      ARG   2 -11.196  -2.622  -4.035
   16   HH22  ARG   2          2HH2      ARG   2 -11.199  -2.212  -5.699
   17    H    ALA   3           H        AZH   3  -3.174  -3.388   0.863
   18    HA   ALA   3           HA       AZH   3  -1.521  -0.981   1.076
   19    HB1  ALA   3          1HB       AZH   3  -0.312  -2.661   2.763
   20    HB2  ALA   3          2HB       AZH   3  -1.948  -3.289   2.853
   21    H    TYR   4           H        TYR   4   0.345  -0.865   0.207
   22    HA   TYR   4           HA       TYR   4   1.439  -3.115  -1.250
   23    HB2  TYR   4          2HB       TYR   4   2.083  -0.170  -1.123
   24    HB3  TYR   4          1HB       TYR   4   3.181  -1.312  -1.893
   25    HD1  TYR   4          1HD       TYR   4   2.755  -2.090  -4.072
   26    HD2  TYR   4          2HD       TYR   4  -0.222   0.149  -2.028
   27    HE1  TYR   4          1HE       TYR   4   1.496  -1.889  -6.153
   28    HE2  TYR   4          2HE       TYR   4  -1.499   0.356  -4.107
   29    HH   TYR   4           HH       TYR   4  -0.761  -1.506  -6.850
   30    H    LYS   5           H        LYS   5   3.531  -3.892  -0.838
   31    HA   LYS   5           HA       LYS   5   4.516  -3.217   1.814
   32    HB2  LYS   5          2HB       LYS   5   5.909  -5.352   1.612
   33    HB3  LYS   5          1HB       LYS   5   4.182  -5.546   1.792
   34    HG2  LYS   5          2HG       LYS   5   4.983  -7.156   0.220
   35    HG3  LYS   5          1HG       LYS   5   4.028  -5.968  -0.657
   36    HD2  LYS   5          2HD       LYS   5   6.096  -4.899  -1.429
   37    HD3  LYS   5          1HD       LYS   5   7.046  -6.069  -0.514
   38    HE2  LYS   5          2HE       LYS   5   5.138  -6.733  -2.752
   39    HE3  LYS   5          1HE       LYS   5   6.893  -6.655  -2.903
   40    HZ1  LYS   5          1HZ       LYS   5   7.034  -8.460  -1.257
   41    HZ2  LYS   5          2HZ       LYS   5   6.179  -8.942  -2.608
   42    HZ3  LYS   5          3HZ       LYS   5   5.363  -8.565  -1.194
   43    H    SER   6           H        SER   6   4.980  -2.317  -1.174
   44    HA   SER   6           HA       SER   6   7.844  -2.043  -1.083
   45    HB2  SER   6          2HB       SER   6   5.812  -0.988  -3.068
   46    HB3  SER   6          1HB       SER   6   7.563  -1.013  -3.286
   47    HG   SER   6           HG       SER   6   7.552  -3.161  -3.412
   48    H    LYS   7           H        LYS   7   8.824  -0.222  -0.382
   49    HA   LYS   7           HA       LYS   7   7.174   1.941   0.665
   50    HB2  LYS   7          2HB       LYS   7  10.057   1.150   1.138
   51    HB3  LYS   7          1HB       LYS   7   9.456   2.725   1.608
   52    HG2  LYS   7          2HG       LYS   7   9.480   1.251   3.525
   53    HG3  LYS   7          1HG       LYS   7   7.822   1.644   3.117
   54    HD2  LYS   7          2HD       LYS   7   7.971  -0.689   3.705
   55    HD3  LYS   7          1HD       LYS   7   7.634  -0.557   1.981
   56    HE2  LYS   7          2HE       LYS   7   9.953  -0.981   1.461
   57    HE3  LYS   7          1HE       LYS   7  10.368  -1.005   3.172
   58    HZ1  LYS   7          1HZ       LYS   7  10.149  -3.227   2.275
   59    HZ2  LYS   7          2HZ       LYS   7   8.549  -2.922   1.815
   60    HZ3  LYS   7          3HZ       LYS   7   8.970  -2.941   3.442
   61    HA   PRO   8           HA       PRO   8   7.409   4.340   1.173
   62    HB2  PRO   8          2HB       PRO   8   5.840   5.894  -0.812
   63    HB3  PRO   8          1HB       PRO   8   6.695   6.464   0.626
   64    HG2  PRO   8          2HG       PRO   8   7.661   6.958  -1.799
   65    HG3  PRO   8          1HG       PRO   8   8.744   6.535  -0.458
   66    HD2  PRO   8          2HD       PRO   8   7.728   4.811  -2.689
   67    HD3  PRO   8          1HD       PRO   8   9.376   4.933  -2.034
   68    HA   PRO   9           HA       PRO   9   4.154   1.466   0.563
   69    HB2  PRO   9          2HB       PRO   9   3.092   1.506   3.039
   70    HB3  PRO   9          1HB       PRO   9   4.663   0.777   2.694
   71    HG2  PRO   9          2HG       PRO   9   4.028   3.405   3.938
   72    HG3  PRO   9          1HG       PRO   9   5.350   2.283   4.298
   73    HD2  PRO   9          2HD       PRO   9   5.550   4.577   2.751
   74    HD3  PRO   9          1HD       PRO   9   6.695   3.226   2.732
   75    H    ILE  10           H        ILE  10   2.465   1.867  -0.572
   76    HA   ILE  10           HA       ILE  10   0.722   4.124   0.052
   77    HB   ILE  10           HB       ILE  10   0.828   2.314  -2.382
   78   HG12  ILE  10          2HG1      ILE  10   1.693   5.201  -2.048
   79   HG13  ILE  10          1HG1      ILE  10   2.777   3.821  -2.156
   80   HG21  ILE  10          1HG2      ILE  10  -0.718   3.923  -3.419
   81   HG22  ILE  10          2HG2      ILE  10  -0.843   4.778  -1.876
   82   HG23  ILE  10          3HG2      ILE  10  -1.420   3.114  -2.016
   83   HD11  ILE  10          1HD1      ILE  10   2.002   3.398  -4.435
   84   HD12  ILE  10          2HD1      ILE  10   2.657   5.027  -4.262
   85   HD13  ILE  10          3HD1      ILE  10   0.911   4.777  -4.318
   86    H    ALA  11           H        PRG  11  -1.102   3.725   1.207
   87    HA   ALA  11           HA       PRG  11  -2.303   1.088   0.886
   88    HB1  ALA  11          1HB       PRG  11  -3.018   1.094   3.232
   89    HB2  ALA  11          2HB       PRG  11  -2.219   2.630   3.490
   90    H    PHE  12           H        PHE  12  -4.152   1.246   0.064
   91    HA   PHE  12           HA       PHE  12  -5.657   3.722   0.217
   92    HB2  PHE  12          2HB       PHE  12  -6.253   1.149  -1.281
   93    HB3  PHE  12          1HB       PHE  12  -7.239   2.601  -1.351
   94    HD1  PHE  12          1HD       PHE  12  -4.361   0.896  -2.680
   95    HD2  PHE  12          2HD       PHE  12  -6.234   4.707  -2.290
   96    HE1  PHE  12          1HE       PHE  12  -2.995   1.763  -4.528
   97    HE2  PHE  12          2HE       PHE  12  -4.867   5.566  -4.135
   98    HZ   PHE  12           HZ       PHE  12  -3.244   4.094  -5.254
   99    HA   PRO  13           HA       PRO  13  -7.900   2.490   3.890
  100    HB2  PRO  13          2HB       PRO  13 -10.062   4.004   2.502
  101    HB3  PRO  13          1HB       PRO  13  -9.502   4.128   4.176
  102    HG2  PRO  13          2HG       PRO  13  -8.756   5.963   2.465
  103    HG3  PRO  13          1HG       PRO  13  -7.554   5.271   3.569
  104    HD2  PRO  13          2HD       PRO  13  -7.981   4.714   0.657
  105    HD3  PRO  13          1HD       PRO  13  -6.471   4.894   1.579
  106    H    ASP  14           H        ASP  14  -8.854   1.581   0.789
  107    HA   ASP  14           HA       ASP  14 -11.195   0.046   1.385
  108    HB2  ASP  14          2HB       ASP  14 -10.673   0.758  -0.914
  109    HB3  ASP  14          1HB       ASP  14  -9.197  -0.198  -0.886
  110    H1   WMH 101          1HG       AZH   3  -1.793  -1.780   4.589
  111    H2   WMH 101          2HG       AZH   3  -2.676  -0.904   3.337
  112    H5   WMH 101           HD       PRG  11   0.531   2.624   3.341
  Start of MODEL    6
    1    H1   GLY   1           H        GLY   1  -8.040  -0.538   1.496
    2    HA2  GLY   1          2HA       GLY   1  -7.428  -2.383   2.899
    3    HA3  GLY   1          1HA       GLY   1  -8.499  -3.402   1.946
    4    H    ARG   2           H        ARG   2  -6.027  -1.045   1.056
    5    HA   ARG   2           HA       ARG   2  -4.581  -3.178  -0.334
    6    HB2  ARG   2          2HB       ARG   2  -5.125  -0.461  -1.578
    7    HB3  ARG   2          1HB       ARG   2  -4.302  -1.819  -2.321
    8    HG2  ARG   2          2HG       ARG   2  -6.367  -3.105  -2.294
    9    HG3  ARG   2          1HG       ARG   2  -7.201  -1.758  -1.533
   10    HD2  ARG   2          2HD       ARG   2  -6.650  -0.388  -3.545
   11    HD3  ARG   2          1HD       ARG   2  -6.006  -1.855  -4.296
   12    HE   ARG   2           HE       ARG   2  -8.711  -1.915  -3.235
   13   HH11  ARG   2          1HH1      ARG   2  -6.672  -1.845  -6.132
   14   HH12  ARG   2          2HH1      ARG   2  -7.925  -2.320  -7.178
   15   HH21  ARG   2          1HH2      ARG   2 -10.392  -2.577  -4.650
   16   HH22  ARG   2          2HH2      ARG   2 -10.092  -2.792  -6.304
   17    H    ALA   3           H        AZH   3  -2.785  -3.175   0.864
   18    HA   ALA   3           HA       AZH   3  -1.437  -0.615   1.257
   19    HB1  ALA   3          1HB       AZH   3  -0.263  -2.126   3.117
   20    HB2  ALA   3          2HB       AZH   3  -1.834  -2.908   3.103
   21    H    TYR   4           H        TYR   4   0.499  -0.417   0.522
   22    HA   TYR   4           HA       TYR   4   1.694  -2.670  -0.837
   23    HB2  TYR   4          2HB       TYR   4   2.142   0.300  -0.981
   24    HB3  TYR   4          1HB       TYR   4   3.255  -0.844  -1.740
   25    HD1  TYR   4          1HD       TYR   4   2.392  -2.309  -3.571
   26    HD2  TYR   4          2HD       TYR   4   0.079   0.862  -1.945
   27    HE1  TYR   4          1HE       TYR   4   0.950  -2.365  -5.546
   28    HE2  TYR   4          2HE       TYR   4  -1.375   0.814  -3.920
   29    HH   TYR   4           HH       TYR   4  -1.211   0.118  -6.254
   30    H    LYS   5           H        LYS   5   3.389  -3.675  -0.096
   31    HA   LYS   5           HA       LYS   5   4.650  -2.749   2.352
   32    HB2  LYS   5          2HB       LYS   5   4.823  -5.328   0.801
   33    HB3  LYS   5          1HB       LYS   5   5.818  -4.994   2.210
   34    HG2  LYS   5          2HG       LYS   5   3.869  -4.817   3.618
   35    HG3  LYS   5          1HG       LYS   5   2.805  -4.977   2.225
   36    HD2  LYS   5          2HD       LYS   5   4.782  -7.102   3.029
   37    HD3  LYS   5          1HD       LYS   5   3.131  -7.053   3.652
   38    HE2  LYS   5          2HE       LYS   5   3.871  -7.200   0.722
   39    HE3  LYS   5          1HE       LYS   5   3.408  -8.579   1.715
   40    HZ1  LYS   5          1HZ       LYS   5   1.700  -6.210   1.215
   41    HZ2  LYS   5          2HZ       LYS   5   1.241  -7.549   2.077
   42    HZ3  LYS   5          3HZ       LYS   5   1.531  -7.668   0.416
   43    H    SER   6           H        SER   6   5.125  -2.704  -0.958
   44    HA   SER   6           HA       SER   6   7.973  -2.383  -0.862
   45    HB2  SER   6          2HB       SER   6   5.997  -1.794  -3.082
   46    HB3  SER   6          1HB       SER   6   7.753  -1.941  -3.243
   47    HG   SER   6           HG       SER   6   7.160  -4.078  -2.088
   48    H    LYS   7           H        LYS   7   9.018  -0.482  -0.822
   49    HA   LYS   7           HA       LYS   7   7.522   1.755   0.206
   50    HB2  LYS   7          2HB       LYS   7  10.466   1.149  -0.068
   51    HB3  LYS   7          1HB       LYS   7   9.925   2.769   0.312
   52    HG2  LYS   7          2HG       LYS   7  10.611   1.529   2.322
   53    HG3  LYS   7          1HG       LYS   7   8.925   1.996   2.397
   54    HD2  LYS   7          2HD       LYS   7   9.189  -0.253   3.266
   55    HD3  LYS   7          1HD       LYS   7   8.303  -0.325   1.744
   56    HE2  LYS   7          2HE       LYS   7  10.372  -0.974   0.588
   57    HE3  LYS   7          1HE       LYS   7  11.242  -0.899   2.116
   58    HZ1  LYS   7          1HZ       LYS   7  10.583  -3.176   1.519
   59    HZ2  LYS   7          2HZ       LYS   7   8.960  -2.748   1.574
   60    HZ3  LYS   7          3HZ       LYS   7   9.892  -2.689   2.964
   61    HA   PRO   8           HA       PRO   8   7.483   4.017   0.324
   62    HB2  PRO   8          2HB       PRO   8   5.504   5.624  -0.567
   63    HB3  PRO   8          1HB       PRO   8   7.207   6.083  -0.659
   64    HG2  PRO   8          2HG       PRO   8   5.419   4.972  -2.778
   65    HG3  PRO   8          1HG       PRO   8   6.624   6.264  -2.900
   66    HD2  PRO   8          2HD       PRO   8   7.084   3.710  -3.722
   67    HD3  PRO   8          1HD       PRO   8   8.365   4.787  -3.131
   68    HA   PRO   9           HA       PRO   9   4.065   1.116   0.794
   69    HB2  PRO   9          2HB       PRO   9   3.814   2.077   3.547
   70    HB3  PRO   9          1HB       PRO   9   4.327   0.488   2.975
   71    HG2  PRO   9          2HG       PRO   9   6.042   2.215   4.143
   72    HG3  PRO   9          1HG       PRO   9   6.545   1.094   2.865
   73    HD2  PRO   9          2HD       PRO   9   5.873   4.008   2.670
   74    HD3  PRO   9          1HD       PRO   9   7.226   3.100   1.954
   75    H    ILE  10           H        ILE  10   2.534   2.118  -0.424
   76    HA   ILE  10           HA       ILE  10   1.014   4.288   0.748
   77    HB   ILE  10           HB       ILE  10   0.931   3.037  -2.008
   78   HG12  ILE  10          2HG1      ILE  10   1.865   5.739  -1.031
   79   HG13  ILE  10          1HG1      ILE  10   2.893   4.420  -1.570
   80   HG21  ILE  10          1HG2      ILE  10  -1.296   3.743  -1.413
   81   HG22  ILE  10          2HG2      ILE  10  -0.627   4.817  -2.645
   82   HG23  ILE  10          3HG2      ILE  10  -0.707   5.345  -0.957
   83   HD11  ILE  10          1HD1      ILE  10   0.940   5.963  -3.253
   84   HD12  ILE  10          2HD1      ILE  10   1.936   4.621  -3.808
   85   HD13  ILE  10          3HD1      ILE  10   2.698   6.123  -3.272
   86    H    ALA  11           H        PRG  11  -1.062   4.067   1.501
   87    HA   ALA  11           HA       PRG  11  -2.237   1.423   1.172
   88    HB1  ALA  11          1HB       PRG  11  -3.183   1.527   3.435
   89    HB2  ALA  11          2HB       PRG  11  -2.412   3.076   3.703
   90    H    PHE  12           H        PHE  12  -4.412   1.297   1.175
   91    HA   PHE  12           HA       PHE  12  -5.937   3.745   0.681
   92    HB2  PHE  12          2HB       PHE  12  -6.017   1.140  -0.855
   93    HB3  PHE  12          1HB       PHE  12  -7.221   2.398  -1.021
   94    HD1  PHE  12          1HD       PHE  12  -6.689   4.484  -2.165
   95    HD2  PHE  12          2HD       PHE  12  -3.807   1.373  -1.818
   96    HE1  PHE  12          1HE       PHE  12  -5.348   5.543  -3.917
   97    HE2  PHE  12          2HE       PHE  12  -2.455   2.446  -3.583
   98    HZ   PHE  12           HZ       PHE  12  -3.226   4.522  -4.628
   99    HA   PRO  13           HA       PRO  13  -8.475   2.009   3.987
  100    HB2  PRO  13          2HB       PRO  13 -10.686   3.499   2.666
  101    HB3  PRO  13          1HB       PRO  13 -10.107   3.596   4.332
  102    HG2  PRO  13          2HG       PRO  13  -9.571   5.543   2.612
  103    HG3  PRO  13          1HG       PRO  13  -8.350   5.008   3.780
  104    HD2  PRO  13          2HD       PRO  13  -8.577   4.396   0.858
  105    HD3  PRO  13          1HD       PRO  13  -7.142   4.787   1.832
  106    H    ASP  14           H        ASP  14  -9.090   1.594   0.689
  107    HA   ASP  14           HA       ASP  14 -11.340  -0.120   0.616
  108    HB2  ASP  14          2HB       ASP  14 -10.364   0.935  -1.382
  109    HB3  ASP  14          1HB       ASP  14  -8.890   0.008  -1.164
  110    H1   WMH 101          1HG       AZH   3  -2.121  -1.352   4.757
  111    H2   WMH 101          2HG       AZH   3  -2.742  -0.493   3.351
  112    H5   WMH 101           HD       PRG  11   0.304   3.100   3.972
  Start of MODEL    7
    1    H1   GLY   1           H        GLY   1  -8.069  -0.493   2.225
    2    HA2  GLY   1          2HA       GLY   1  -7.371  -2.315   3.637
    3    HA3  GLY   1          1HA       GLY   1  -8.497  -3.351   2.769
    4    H    ARG   2           H        ARG   2  -6.753  -1.129   0.904
    5    HA   ARG   2           HA       ARG   2  -5.250  -3.362  -0.262
    6    HB2  ARG   2          2HB       ARG   2  -6.127  -0.731  -1.470
    7    HB3  ARG   2          1HB       ARG   2  -5.129  -1.915  -2.295
    8    HG2  ARG   2          2HG       ARG   2  -6.924  -3.525  -2.254
    9    HG3  ARG   2          1HG       ARG   2  -7.916  -2.441  -1.279
   10    HD2  ARG   2          2HD       ARG   2  -6.907  -1.811  -4.045
   11    HD3  ARG   2          1HD       ARG   2  -8.505  -2.471  -3.710
   12    HE   ARG   2           HE       ARG   2  -8.602  -0.320  -2.207
   13   HH11  ARG   2          1HH1      ARG   2  -7.328  -0.571  -5.495
   14   HH12  ARG   2          2HH1      ARG   2  -7.732   1.025  -5.907
   15   HH21  ARG   2          1HH2      ARG   2  -9.187   1.856  -2.809
   16   HH22  ARG   2          2HH2      ARG   2  -8.762   2.426  -4.373
   17    H    ALA   3           H        AZH   3  -3.274  -3.396   0.559
   18    HA   ALA   3           HA       AZH   3  -1.771  -0.889   0.775
   19    HB1  ALA   3          1HB       AZH   3  -0.473  -2.451   2.529
   20    HB2  ALA   3          2HB       AZH   3  -2.086  -3.128   2.680
   21    H    TYR   4           H        TYR   4   0.299  -0.881   0.113
   22    HA   TYR   4           HA       TYR   4   1.302  -3.304  -1.202
   23    HB2  TYR   4          2HB       TYR   4   1.884  -0.386  -1.761
   24    HB3  TYR   4          1HB       TYR   4   2.736  -1.727  -2.510
   25    HD1  TYR   4          1HD       TYR   4   1.599  -3.154  -4.129
   26    HD2  TYR   4          2HD       TYR   4  -0.315   0.247  -2.462
   27    HE1  TYR   4          1HE       TYR   4  -0.063  -3.239  -5.910
   28    HE2  TYR   4          2HE       TYR   4  -1.998   0.178  -4.240
   29    HH   TYR   4           HH       TYR   4  -2.390  -2.485  -6.227
   30    H    LYS   5           H        LYS   5   3.143  -4.128  -0.396
   31    HA   LYS   5           HA       LYS   5   4.430  -2.582   1.694
   32    HB2  LYS   5          2HB       LYS   5   5.039  -5.452   0.906
   33    HB3  LYS   5          1HB       LYS   5   5.665  -4.598   2.297
   34    HG2  LYS   5          2HG       LYS   5   4.043  -5.964   3.237
   35    HG3  LYS   5          1HG       LYS   5   3.193  -4.433   3.051
   36    HD2  LYS   5          2HD       LYS   5   1.731  -6.198   2.331
   37    HD3  LYS   5          1HD       LYS   5   2.253  -5.312   0.898
   38    HE2  LYS   5          2HE       LYS   5   4.001  -7.062   0.519
   39    HE3  LYS   5          1HE       LYS   5   3.351  -7.945   1.895
   40    HZ1  LYS   5          1HZ       LYS   5   1.876  -7.282  -0.585
   41    HZ2  LYS   5          2HZ       LYS   5   1.267  -8.158   0.717
   42    HZ3  LYS   5          3HZ       LYS   5   2.515  -8.794  -0.200
   43    H    SER   6           H        SER   6   5.324  -1.103   0.462
   44    HA   SER   6           HA       SER   6   7.634  -1.876  -1.111
   45    HB2  SER   6          2HB       SER   6   6.881  -0.047  -2.725
   46    HB3  SER   6          1HB       SER   6   5.940  -1.538  -2.762
   47    HG   SER   6           HG       SER   6   4.910   0.732  -2.574
   48    H    LYS   7           H        LYS   7   8.967   0.207  -1.487
   49    HA   LYS   7           HA       LYS   7   8.652   1.967   0.822
   50    HB2  LYS   7          2HB       LYS   7  11.123   1.072  -0.656
   51    HB3  LYS   7          1HB       LYS   7  11.126   2.557   0.273
   52    HG2  LYS   7          2HG       LYS   7  12.110   0.784   1.571
   53    HG3  LYS   7          1HG       LYS   7  10.587   1.263   2.302
   54    HD2  LYS   7          2HD       LYS   7   9.506  -0.701   1.312
   55    HD3  LYS   7          1HD       LYS   7  11.030  -1.159   0.553
   56    HE2  LYS   7          2HE       LYS   7  10.655  -2.444   2.593
   57    HE3  LYS   7          1HE       LYS   7  12.067  -1.398   2.744
   58    HZ1  LYS   7          1HZ       LYS   7  10.694   0.169   4.030
   59    HZ2  LYS   7          2HZ       LYS   7  10.730  -1.353   4.738
   60    HZ3  LYS   7          3HZ       LYS   7   9.370  -0.867   3.890
   61    HA   PRO   8           HA       PRO   8   7.874   3.675   1.303
   62    HB2  PRO   8          2HB       PRO   8   5.930   5.649   0.629
   63    HB3  PRO   8          1HB       PRO   8   7.457   5.901   1.472
   64    HG2  PRO   8          2HG       PRO   8   6.848   6.861  -1.068
   65    HG3  PRO   8          1HG       PRO   8   8.478   6.701  -0.402
   66    HD2  PRO   8          2HD       PRO   8   7.004   4.902  -2.269
   67    HD3  PRO   8          1HD       PRO   8   8.727   5.329  -2.231
   68    HA   PRO   9           HA       PRO   9   4.286   1.136   0.635
   69    HB2  PRO   9          2HB       PRO   9   3.200   1.787   3.250
   70    HB3  PRO   9          1HB       PRO   9   3.956   0.288   2.715
   71    HG2  PRO   9          2HG       PRO   9   5.094   1.991   4.516
   72    HG3  PRO   9          1HG       PRO   9   6.024   0.917   3.459
   73    HD2  PRO   9          2HD       PRO   9   5.483   3.837   3.202
   74    HD3  PRO   9          1HD       PRO   9   6.959   2.915   2.841
   75    H    ILE  10           H        ILE  10   2.556   1.591  -0.503
   76    HA   ILE  10           HA       ILE  10   1.040   4.049   0.060
   77    HB   ILE  10           HB       ILE  10   1.196   2.397  -2.486
   78   HG12  ILE  10          2HG1      ILE  10   3.239   3.666  -2.126
   79   HG13  ILE  10          1HG1      ILE  10   2.333   4.361  -3.462
   80   HG21  ILE  10          1HG2      ILE  10  -0.300   4.968  -1.996
   81   HG22  ILE  10          2HG2      ILE  10  -1.016   3.379  -2.262
   82   HG23  ILE  10          3HG2      ILE  10  -0.120   4.172  -3.559
   83   HD11  ILE  10          1HD1      ILE  10   2.497   5.442  -0.651
   84   HD12  ILE  10          2HD1      ILE  10   1.530   6.133  -1.952
   85   HD13  ILE  10          3HD1      ILE  10   3.288   6.100  -2.083
   86    H    ALA  11           H        PRG  11  -1.063   3.852   0.713
   87    HA   ALA  11           HA       PRG  11  -2.292   1.209   0.440
   88    HB1  ALA  11          1HB       PRG  11  -3.169   1.260   2.712
   89    HB2  ALA  11          2HB       PRG  11  -2.401   2.803   3.011
   90    H    PHE  12           H        PHE  12  -4.491   1.203   0.498
   91    HA   PHE  12           HA       PHE  12  -5.843   3.780   0.319
   92    HB2  PHE  12          2HB       PHE  12  -6.429   1.258  -1.272
   93    HB3  PHE  12          1HB       PHE  12  -7.412   2.713  -1.302
   94    HD1  PHE  12          1HD       PHE  12  -6.518   4.784  -2.315
   95    HD2  PHE  12          2HD       PHE  12  -4.421   1.088  -2.548
   96    HE1  PHE  12          1HE       PHE  12  -5.150   5.676  -4.151
   97    HE2  PHE  12          2HE       PHE  12  -3.050   1.985  -4.386
   98    HZ   PHE  12           HZ       PHE  12  -3.412   4.274  -5.186
   99    HA   PRO  13           HA       PRO  13  -7.897   2.206   3.940
  100    HB2  PRO  13          2HB       PRO  13 -10.214   3.845   3.106
  101    HB3  PRO  13          1HB       PRO  13  -9.283   3.886   4.602
  102    HG2  PRO  13          2HG       PRO  13  -8.984   5.791   2.774
  103    HG3  PRO  13          1HG       PRO  13  -7.593   5.174   3.684
  104    HD2  PRO  13          2HD       PRO  13  -8.440   4.589   0.875
  105    HD3  PRO  13          1HD       PRO  13  -6.818   4.866   1.556
  106    H    ASP  14           H        ASP  14  -8.880   1.358   0.956
  107    HA   ASP  14           HA       ASP  14 -11.337  -0.036   1.539
  108    HB2  ASP  14          2HB       ASP  14  -9.337  -0.506  -0.672
  109    HB3  ASP  14          1HB       ASP  14 -10.964  -1.155  -0.596
  110    H1   WMH 101          1HG       AZH   3  -2.057  -1.565   4.345
  111    H2   WMH 101          2HG       AZH   3  -2.852  -0.710   3.027
  112    H5   WMH 101           HD       PRG  11   0.349   2.809   3.087
  Start of MODEL    8
    1    H1   GLY   1           H        GLY   1  -8.049  -0.350   1.570
    2    HA2  GLY   1          2HA       GLY   1  -7.504  -2.080   3.143
    3    HA3  GLY   1          1HA       GLY   1  -8.701  -3.110   2.351
    4    H    ARG   2           H        ARG   2  -6.116  -1.063   1.130
    5    HA   ARG   2           HA       ARG   2  -5.082  -3.401  -0.311
    6    HB2  ARG   2          2HB       ARG   2  -6.570  -1.684  -1.618
    7    HB3  ARG   2          1HB       ARG   2  -5.151  -0.660  -1.515
    8    HG2  ARG   2          2HG       ARG   2  -5.197  -1.769  -3.645
    9    HG3  ARG   2          1HG       ARG   2  -3.849  -2.397  -2.690
   10    HD2  ARG   2          2HD       ARG   2  -5.206  -4.134  -3.899
   11    HD3  ARG   2          1HD       ARG   2  -5.048  -4.394  -2.163
   12    HE   ARG   2           HE       ARG   2  -7.397  -2.958  -3.108
   13   HH11  ARG   2          1HH1      ARG   2  -6.082  -6.067  -2.037
   14   HH12  ARG   2          2HH1      ARG   2  -7.570  -6.630  -1.422
   15   HH21  ARG   2          1HH2      ARG   2  -9.414  -3.701  -2.152
   16   HH22  ARG   2          2HH2      ARG   2  -9.483  -5.280  -1.509
   17    H    ALA   3           H        AZH   3  -3.188  -3.622   0.772
   18    HA   ALA   3           HA       AZH   3  -1.583  -1.215   1.252
   19    HB1  ALA   3          1HB       AZH   3  -0.349  -3.030   2.788
   20    HB2  ALA   3          2HB       AZH   3  -1.970  -3.699   2.814
   21    H    TYR   4           H        TYR   4   0.300  -0.990   0.340
   22    HA   TYR   4           HA       TYR   4   1.459  -3.312  -1.007
   23    HB2  TYR   4          2HB       TYR   4   1.572  -0.389  -1.799
   24    HB3  TYR   4          1HB       TYR   4   2.523  -1.657  -2.558
   25    HD1  TYR   4          1HD       TYR   4  -0.834  -0.220  -2.196
   26    HD2  TYR   4          2HD       TYR   4   1.493  -3.245  -4.071
   27    HE1  TYR   4          1HE       TYR   4  -2.668  -0.650  -3.769
   28    HE2  TYR   4          2HE       TYR   4  -0.324  -3.688  -5.644
   29    HH   TYR   4           HH       TYR   4  -2.662  -3.389  -5.869
   30    H    LYS   5           H        LYS   5   2.979  -3.992   0.355
   31    HA   LYS   5           HA       LYS   5   4.450  -2.077   1.890
   32    HB2  LYS   5          2HB       LYS   5   4.468  -5.086   1.887
   33    HB3  LYS   5          1HB       LYS   5   5.413  -4.076   2.980
   34    HG2  LYS   5          2HG       LYS   5   3.403  -3.129   3.925
   35    HG3  LYS   5          1HG       LYS   5   2.410  -4.004   2.765
   36    HD2  LYS   5          2HD       LYS   5   2.431  -5.036   5.007
   37    HD3  LYS   5          1HD       LYS   5   3.047  -6.114   3.753
   38    HE2  LYS   5          2HE       LYS   5   5.268  -5.686   4.382
   39    HE3  LYS   5          1HE       LYS   5   4.795  -4.415   5.509
   40    HZ1  LYS   5          1HZ       LYS   5   3.667  -6.068   6.860
   41    HZ2  LYS   5          2HZ       LYS   5   5.266  -6.567   6.668
   42    HZ3  LYS   5          3HZ       LYS   5   4.045  -7.288   5.779
   43    H    SER   6           H        SER   6   5.341  -1.140   0.113
   44    HA   SER   6           HA       SER   6   7.958  -2.103  -0.508
   45    HB2  SER   6          2HB       SER   6   5.928  -1.314  -2.649
   46    HB3  SER   6          1HB       SER   6   7.640  -1.631  -2.939
   47    HG   SER   6           HG       SER   6   6.638  -3.662  -1.600
   48    H    LYS   7           H        LYS   7   9.004  -0.047  -1.676
   49    HA   LYS   7           HA       LYS   7   8.153   2.151   0.014
   50    HB2  LYS   7          2HB       LYS   7  10.675   1.750  -1.607
   51    HB3  LYS   7          1HB       LYS   7  10.311   3.238  -0.758
   52    HG2  LYS   7          2HG       LYS   7  11.831   2.006   0.593
   53    HG3  LYS   7          1HG       LYS   7  10.253   1.910   1.366
   54    HD2  LYS   7          2HD       LYS   7   9.960  -0.348   0.457
   55    HD3  LYS   7          1HD       LYS   7  11.534  -0.219  -0.335
   56    HE2  LYS   7          2HE       LYS   7  12.622   0.025   1.819
   57    HE3  LYS   7          1HE       LYS   7  11.064  -0.066   2.635
   58    HZ1  LYS   7          1HZ       LYS   7  12.170  -2.172   2.715
   59    HZ2  LYS   7          2HZ       LYS   7  12.343  -2.237   1.053
   60    HZ3  LYS   7          3HZ       LYS   7  10.808  -2.319   1.749
   61    HA   PRO   8           HA       PRO   8   7.709   4.031   0.338
   62    HB2  PRO   8          2HB       PRO   8   5.780   5.895   0.219
   63    HB3  PRO   8          1HB       PRO   8   7.422   6.257  -0.320
   64    HG2  PRO   8          2HG       PRO   8   5.007   5.557  -1.932
   65    HG3  PRO   8          1HG       PRO   8   6.232   6.798  -2.244
   66    HD2  PRO   8          2HD       PRO   8   6.197   4.337  -3.447
   67    HD3  PRO   8          1HD       PRO   8   7.671   5.294  -3.208
   68    HA   PRO   9           HA       PRO   9   4.347   1.310   1.444
   69    HB2  PRO   9          2HB       PRO   9   3.969   2.939   3.883
   70    HB3  PRO   9          1HB       PRO   9   4.370   1.227   3.738
   71    HG2  PRO   9          2HG       PRO   9   6.195   3.013   4.531
   72    HG3  PRO   9          1HG       PRO   9   6.621   1.633   3.502
   73    HD2  PRO   9          2HD       PRO   9   6.245   4.503   2.753
   74    HD3  PRO   9          1HD       PRO   9   7.442   3.322   2.181
   75    H    ILE  10           H        ILE  10   2.581   1.634   0.254
   76    HA   ILE  10           HA       ILE  10   0.936   3.913   0.987
   77    HB   ILE  10           HB       ILE  10   1.791   4.289  -1.253
   78   HG12  ILE  10          2HG1      ILE  10  -0.351   4.489  -2.526
   79   HG13  ILE  10          1HG1      ILE  10  -1.131   3.524  -1.284
   80   HG21  ILE  10          1HG2      ILE  10   1.293   2.827  -3.147
   81   HG22  ILE  10          2HG2      ILE  10   0.571   1.658  -2.043
   82   HG23  ILE  10          3HG2      ILE  10   2.293   2.026  -1.932
   83   HD11  ILE  10          1HD1      ILE  10   0.168   6.208  -0.857
   84   HD12  ILE  10          2HD1      ILE  10  -0.660   5.245   0.371
   85   HD13  ILE  10          3HD1      ILE  10  -1.562   5.901  -0.991
   86    H    ALA  11           H        PRG  11  -0.921   3.465   1.841
   87    HA   ALA  11           HA       PRG  11  -2.152   0.906   1.183
   88    HB1  ALA  11          1HB       PRG  11  -3.005   0.695   3.481
   89    HB2  ALA  11          2HB       PRG  11  -2.190   2.176   3.938
   90    H    PHE  12           H        PHE  12  -4.055   1.045   0.516
   91    HA   PHE  12           HA       PHE  12  -5.393   3.625   0.484
   92    HB2  PHE  12          2HB       PHE  12  -5.938   1.114  -1.109
   93    HB3  PHE  12          1HB       PHE  12  -6.766   2.648  -1.297
   94    HD1  PHE  12          1HD       PHE  12  -5.642   4.565  -2.295
   95    HD2  PHE  12          2HD       PHE  12  -3.688   0.796  -1.983
   96    HE1  PHE  12          1HE       PHE  12  -3.949   5.307  -3.913
   97    HE2  PHE  12          2HE       PHE  12  -1.997   1.542  -3.606
   98    HZ   PHE  12           HZ       PHE  12  -2.126   3.794  -4.565
   99    HA   PRO  13           HA       PRO  13  -8.263   2.496   3.754
  100    HB2  PRO  13          2HB       PRO  13 -10.064   4.082   1.970
  101    HB3  PRO  13          1HB       PRO  13  -9.867   4.176   3.724
  102    HG2  PRO  13          2HG       PRO  13  -8.690   5.998   2.258
  103    HG3  PRO  13          1HG       PRO  13  -7.763   5.215   3.550
  104    HD2  PRO  13          2HD       PRO  13  -7.659   4.736   0.596
  105    HD3  PRO  13          1HD       PRO  13  -6.337   4.826   1.782
  106    H    ASP  14           H        ASP  14  -8.884   1.758   0.432
  107    HA   ASP  14           HA       ASP  14 -11.276   0.240   0.697
  108    HB2  ASP  14          2HB       ASP  14 -10.370   0.941  -1.500
  109    HB3  ASP  14          1HB       ASP  14  -8.991  -0.123  -1.268
  110    H1   WMH 101          1HG       AZH   3  -1.917  -2.341   4.692
  111    H2   WMH 101          2HG       AZH   3  -2.720  -1.333   3.490
  112    H5   WMH 101           HD       PRG  11   0.591   2.094   3.832
  Start of MODEL    9
    1    H1   GLY   1           H        GLY   1  -8.147  -0.310   1.871
    2    HA2  GLY   1          2HA       GLY   1  -7.542  -2.013   3.429
    3    HA3  GLY   1          1HA       GLY   1  -8.722  -3.079   2.667
    4    H    ARG   2           H        ARG   2  -6.122  -1.051   1.410
    5    HA   ARG   2           HA       ARG   2  -4.992  -3.420   0.064
    6    HB2  ARG   2          2HB       ARG   2  -6.552  -1.828  -1.303
    7    HB3  ARG   2          1HB       ARG   2  -5.199  -0.728  -1.170
    8    HG2  ARG   2          2HG       ARG   2  -3.766  -2.127  -2.414
    9    HG3  ARG   2          1HG       ARG   2  -4.943  -3.444  -2.410
   10    HD2  ARG   2          2HD       ARG   2  -5.232  -0.759  -3.744
   11    HD3  ARG   2          1HD       ARG   2  -5.048  -2.323  -4.538
   12    HE   ARG   2           HE       ARG   2  -7.296  -2.375  -2.836
   13   HH11  ARG   2          1HH1      ARG   2  -6.324  -1.161  -6.017
   14   HH12  ARG   2          2HH1      ARG   2  -7.926  -0.919  -6.540
   15   HH21  ARG   2          1HH2      ARG   2  -9.481  -1.975  -3.560
   16   HH22  ARG   2          2HH2      ARG   2  -9.731  -1.451  -5.156
   17    H    ALA   3           H        AZH   3  -2.755  -3.391   0.149
   18    HA   ALA   3           HA       AZH   3  -1.383  -0.972   0.942
   19    HB1  ALA   3          1HB       AZH   3  -0.255  -2.596   2.749
   20    HB2  ALA   3          2HB       AZH   3  -1.882  -3.260   2.740
   21    H    TYR   4           H        TYR   4   0.556  -0.877   0.122
   22    HA   TYR   4           HA       TYR   4   1.620  -3.180  -1.286
   23    HB2  TYR   4          2HB       TYR   4   2.426  -0.275  -1.173
   24    HB3  TYR   4          1HB       TYR   4   3.403  -1.492  -1.987
   25    HD1  TYR   4          1HD       TYR   4   0.418   0.585  -2.146
   26    HD2  TYR   4          2HD       TYR   4   2.538  -2.591  -4.015
   27    HE1  TYR   4          1HE       TYR   4  -0.872   0.927  -4.212
   28    HE2  TYR   4          2HE       TYR   4   1.256  -2.256  -6.062
   29    HH   TYR   4           HH       TYR   4  -0.983  -1.279  -6.681
   30    H    LYS   5           H        LYS   5   3.779  -3.920  -0.938
   31    HA   LYS   5           HA       LYS   5   4.651  -3.594   1.844
   32    HB2  LYS   5          2HB       LYS   5   5.431  -5.715  -0.173
   33    HB3  LYS   5          1HB       LYS   5   5.887  -5.682   1.520
   34    HG2  LYS   5          2HG       LYS   5   3.093  -6.025   0.442
   35    HG3  LYS   5          1HG       LYS   5   4.119  -7.298   1.097
   36    HD2  LYS   5          2HD       LYS   5   4.111  -6.140   3.283
   37    HD3  LYS   5          1HD       LYS   5   3.044  -4.907   2.606
   38    HE2  LYS   5          2HE       LYS   5   1.382  -6.645   2.110
   39    HE3  LYS   5          1HE       LYS   5   2.433  -7.850   2.844
   40    HZ1  LYS   5          1HZ       LYS   5   2.233  -6.603   4.965
   41    HZ2  LYS   5          2HZ       LYS   5   0.760  -7.176   4.386
   42    HZ3  LYS   5          3HZ       LYS   5   1.132  -5.558   4.217
   43    H    SER   6           H        SER   6   5.239  -2.327  -1.056
   44    HA   SER   6           HA       SER   6   8.140  -2.182  -0.840
   45    HB2  SER   6          2HB       SER   6   6.259  -1.115  -2.951
   46    HB3  SER   6          1HB       SER   6   8.021  -1.137  -3.051
   47    HG   SER   6           HG       SER   6   7.160  -3.584  -2.445
   48    H    LYS   7           H        LYS   7   9.040   0.066  -1.291
   49    HA   LYS   7           HA       LYS   7   7.694   2.016   0.415
   50    HB2  LYS   7          2HB       LYS   7  10.519   1.947  -0.689
   51    HB3  LYS   7          1HB       LYS   7   9.887   3.179   0.388
   52    HG2  LYS   7          2HG       LYS   7  10.191   0.257   1.070
   53    HG3  LYS   7          1HG       LYS   7  11.300   1.540   1.549
   54    HD2  LYS   7          2HD       LYS   7   9.458   2.632   2.780
   55    HD3  LYS   7          1HD       LYS   7   8.391   1.305   2.327
   56    HE2  LYS   7          2HE       LYS   7   9.213   0.979   4.587
   57    HE3  LYS   7          1HE       LYS   7   9.851  -0.267   3.518
   58    HZ1  LYS   7          1HZ       LYS   7  11.523   0.644   5.056
   59    HZ2  LYS   7          2HZ       LYS   7  11.353   2.157   4.361
   60    HZ3  LYS   7          3HZ       LYS   7  11.963   0.891   3.452
   61    HA   PRO   8           HA       PRO   8   7.484   4.148   0.704
   62    HB2  PRO   8          2HB       PRO   8   5.210   5.708  -0.226
   63    HB3  PRO   8          1HB       PRO   8   6.718   6.288   0.478
   64    HG2  PRO   8          2HG       PRO   8   6.058   6.695  -2.120
   65    HG3  PRO   8          1HG       PRO   8   7.733   6.524  -1.565
   66    HD2  PRO   8          2HD       PRO   8   5.945   4.482  -2.837
   67    HD3  PRO   8          1HD       PRO   8   7.651   4.836  -3.179
   68    HA   PRO   9           HA       PRO   9   4.054   1.454   1.671
   69    HB2  PRO   9          2HB       PRO   9   3.407   3.139   3.986
   70    HB3  PRO   9          1HB       PRO   9   3.983   1.472   3.960
   71    HG2  PRO   9          2HG       PRO   9   5.521   3.540   4.788
   72    HG3  PRO   9          1HG       PRO   9   6.196   2.102   4.010
   73    HD2  PRO   9          2HD       PRO   9   5.702   4.817   2.879
   74    HD3  PRO   9          1HD       PRO   9   7.022   3.671   2.574
   75    H    ILE  10           H        ILE  10   2.772   2.071  -0.019
   76    HA   ILE  10           HA       ILE  10   0.901   4.267   0.374
   77    HB   ILE  10           HB       ILE  10   1.490   2.560  -2.065
   78   HG12  ILE  10          2HG1      ILE  10   2.092   5.474  -1.476
   79   HG13  ILE  10          1HG1      ILE  10   3.265   4.166  -1.500
   80   HG21  ILE  10          1HG2      ILE  10  -0.407   4.892  -1.796
   81   HG22  ILE  10          2HG2      ILE  10  -0.848   3.200  -2.044
   82   HG23  ILE  10          3HG2      ILE  10   0.027   4.076  -3.302
   83   HD11  ILE  10          1HD1      ILE  10   2.869   3.861  -3.892
   84   HD12  ILE  10          2HD1      ILE  10   3.370   5.510  -3.524
   85   HD13  ILE  10          3HD1      ILE  10   1.675   5.158  -3.859
   86    H    ALA  11           H        PRG  11  -0.995   3.817   1.252
   87    HA   ALA  11           HA       PRG  11  -2.130   1.179   0.763
   88    HB1  ALA  11          1HB       PRG  11  -3.051   1.147   3.058
   89    HB2  ALA  11          2HB       PRG  11  -2.263   2.679   3.391
   90    H    PHE  12           H        PHE  12  -4.325   1.092   0.775
   91    HA   PHE  12           HA       PHE  12  -5.705   3.620   0.217
   92    HB2  PHE  12          2HB       PHE  12  -6.098   0.895  -1.056
   93    HB3  PHE  12          1HB       PHE  12  -7.200   2.225  -1.260
   94    HD1  PHE  12          1HD       PHE  12  -3.619   1.323  -1.810
   95    HD2  PHE  12          2HD       PHE  12  -6.934   3.706  -2.989
   96    HE1  PHE  12          1HE       PHE  12  -2.352   2.144  -3.748
   97    HE2  PHE  12          2HE       PHE  12  -5.667   4.528  -4.918
   98    HZ   PHE  12           HZ       PHE  12  -3.375   3.748  -5.299
   99    HA   PRO  13           HA       PRO  13  -8.200   2.454   3.773
  100    HB2  PRO  13          2HB       PRO  13 -10.322   4.047   2.470
  101    HB3  PRO  13          1HB       PRO  13  -9.602   4.245   4.070
  102    HG2  PRO  13          2HG       PRO  13  -9.026   5.948   2.114
  103    HG3  PRO  13          1HG       PRO  13  -7.771   5.407   3.240
  104    HD2  PRO  13          2HD       PRO  13  -8.306   4.522   0.433
  105    HD3  PRO  13          1HD       PRO  13  -6.764   4.872   1.245
  106    H    ASP  14           H        ASP  14  -8.892   1.618   0.635
  107    HA   ASP  14           HA       ASP  14 -11.364   0.191   0.931
  108    HB2  ASP  14          2HB       ASP  14 -10.500   0.945  -1.260
  109    HB3  ASP  14          1HB       ASP  14  -9.108  -0.105  -1.076
  110    H1   WMH 101          1HG       AZH   3  -1.949  -1.718   4.458
  111    H2   WMH 101          2HG       AZH   3  -2.668  -0.859   3.101
  112    H5   WMH 101           HD       PRG  11   0.492   2.660   3.462
  Start of MODEL   10
    1    H1   GLY   1           H        GLY   1  -7.774  -0.328   1.633
    2    HA2  GLY   1          2HA       GLY   1  -6.708  -1.741   3.431
    3    HA3  GLY   1          1HA       GLY   1  -7.787  -3.004   2.866
    4    H    ARG   2           H        ARG   2  -6.796  -1.205   0.224
    5    HA   ARG   2           HA       ARG   2  -5.065  -3.299  -0.701
    6    HB2  ARG   2          2HB       ARG   2  -5.393  -0.519  -1.859
    7    HB3  ARG   2          1HB       ARG   2  -4.637  -1.876  -2.656
    8    HG2  ARG   2          2HG       ARG   2  -6.729  -3.018  -2.841
    9    HG3  ARG   2          1HG       ARG   2  -7.535  -1.793  -1.859
   10    HD2  ARG   2          2HD       ARG   2  -8.050  -1.361  -4.171
   11    HD3  ARG   2          1HD       ARG   2  -6.953  -0.110  -3.591
   12    HE   ARG   2           HE       ARG   2  -5.871  -2.408  -5.003
   13   HH11  ARG   2          1HH1      ARG   2  -6.617   1.082  -5.037
   14   HH12  ARG   2          2HH1      ARG   2  -5.738   1.422  -6.447
   15   HH21  ARG   2          1HH2      ARG   2  -4.704  -1.959  -6.995
   16   HH22  ARG   2          2HH2      ARG   2  -4.595  -0.382  -7.609
   17    H    ALA   3           H        AZH   3  -3.342  -3.486   0.619
   18    HA   ALA   3           HA       AZH   3  -1.624  -1.149   1.038
   19    HB1  ALA   3          1HB       AZH   3  -0.558  -2.952   2.681
   20    HB2  ALA   3          2HB       AZH   3  -2.192  -3.590   2.627
   21    H    TYR   4           H        TYR   4   0.318  -1.093   0.277
   22    HA   TYR   4           HA       TYR   4   1.356  -3.483  -1.046
   23    HB2  TYR   4          2HB       TYR   4   1.637  -0.587  -1.854
   24    HB3  TYR   4          1HB       TYR   4   2.510  -1.919  -2.600
   25    HD1  TYR   4          1HD       TYR   4   1.387  -3.480  -4.045
   26    HD2  TYR   4          2HD       TYR   4  -0.754  -0.281  -2.243
   27    HE1  TYR   4          1HE       TYR   4  -0.468  -3.864  -5.579
   28    HE2  TYR   4          2HE       TYR   4  -2.623  -0.659  -3.776
   29    HH   TYR   4           HH       TYR   4  -2.846  -1.663  -6.107
   30    H    LYS   5           H        LYS   5   3.001  -4.231   0.012
   31    HA   LYS   5           HA       LYS   5   4.525  -2.521   1.739
   32    HB2  LYS   5          2HB       LYS   5   4.791  -5.468   1.137
   33    HB3  LYS   5          1HB       LYS   5   5.747  -4.599   2.325
   34    HG2  LYS   5          2HG       LYS   5   3.742  -4.075   3.586
   35    HG3  LYS   5          1HG       LYS   5   2.762  -4.930   2.395
   36    HD2  LYS   5          2HD       LYS   5   4.012  -6.988   2.892
   37    HD3  LYS   5          1HD       LYS   5   4.925  -6.115   4.125
   38    HE2  LYS   5          2HE       LYS   5   2.855  -5.670   5.333
   39    HE3  LYS   5          1HE       LYS   5   1.948  -6.506   4.072
   40    HZ1  LYS   5          1HZ       LYS   5   2.308  -7.909   5.965
   41    HZ2  LYS   5          2HZ       LYS   5   3.980  -7.749   5.844
   42    HZ3  LYS   5          3HZ       LYS   5   3.114  -8.542   4.632
   43    H    SER   6           H        SER   6   5.326  -1.185   0.312
   44    HA   SER   6           HA       SER   6   7.737  -1.967  -1.067
   45    HB2  SER   6          2HB       SER   6   5.505  -0.350  -2.361
   46    HB3  SER   6          1HB       SER   6   7.056  -0.752  -3.097
   47    HG   SER   6           HG       SER   6   6.114  -2.992  -2.335
   48    H    LYS   7           H        LYS   7   8.809   0.245  -1.667
   49    HA   LYS   7           HA       LYS   7   8.160   2.121   0.487
   50    HB2  LYS   7          2HB       LYS   7  10.748   1.624  -0.970
   51    HB3  LYS   7          1HB       LYS   7  10.505   2.957   0.156
   52    HG2  LYS   7          2HG       LYS   7  10.005   1.392   1.930
   53    HG3  LYS   7          1HG       LYS   7  10.206   0.043   0.814
   54    HD2  LYS   7          2HD       LYS   7  12.540   0.593   0.528
   55    HD3  LYS   7          1HD       LYS   7  12.348   2.035   1.529
   56    HE2  LYS   7          2HE       LYS   7  13.333   0.251   2.843
   57    HE3  LYS   7          1HE       LYS   7  11.704   0.657   3.396
   58    HZ1  LYS   7          1HZ       LYS   7  12.364  -1.660   1.666
   59    HZ2  LYS   7          2HZ       LYS   7  10.847  -1.284   2.263
   60    HZ3  LYS   7          3HZ       LYS   7  12.078  -1.745   3.318
   61    HA   PRO   8           HA       PRO   8   7.528   3.979   1.050
   62    HB2  PRO   8          2HB       PRO   8   5.490   5.688   0.828
   63    HB3  PRO   8          1HB       PRO   8   7.159   6.238   0.617
   64    HG2  PRO   8          2HG       PRO   8   5.157   5.479  -1.486
   65    HG3  PRO   8          1HG       PRO   8   6.139   6.951  -1.391
   66    HD2  PRO   8          2HD       PRO   8   6.869   4.890  -2.921
   67    HD3  PRO   8          1HD       PRO   8   8.067   5.859  -2.046
   68    HA   PRO   9           HA       PRO   9   4.144   1.071   1.105
   69    HB2  PRO   9          2HB       PRO   9   3.282   1.396   3.680
   70    HB3  PRO   9          1HB       PRO   9   4.732   0.487   3.247
   71    HG2  PRO   9          2HG       PRO   9   4.481   3.260   4.306
   72    HG3  PRO   9          1HG       PRO   9   5.712   2.035   4.649
   73    HD2  PRO   9          2HD       PRO   9   6.099   4.141   2.943
   74    HD3  PRO   9          1HD       PRO   9   6.949   2.590   2.809
   75    H    ILE  10           H        ILE  10   2.528   1.664  -0.126
   76    HA   ILE  10           HA       ILE  10   0.780   3.829   0.730
   77    HB   ILE  10           HB       ILE  10   1.552   4.162  -1.537
   78   HG12  ILE  10          2HG1      ILE  10  -0.586   4.190  -2.816
   79   HG13  ILE  10          1HG1      ILE  10  -1.313   3.183  -1.576
   80   HG21  ILE  10          1HG2      ILE  10   2.174   1.881  -2.084
   81   HG22  ILE  10          2HG2      ILE  10   1.165   2.584  -3.349
   82   HG23  ILE  10          3HG2      ILE  10   0.472   1.437  -2.204
   83   HD11  ILE  10          1HD1      ILE  10  -0.266   5.979  -1.198
   84   HD12  ILE  10          2HD1      ILE  10  -0.991   4.970   0.057
   85   HD13  ILE  10          3HD1      ILE  10  -1.959   5.497  -1.315
   86    H    ALA  11           H        PRG  11  -1.176   3.448   1.470
   87    HA   ALA  11           HA       PRG  11  -2.374   0.857   0.913
   88    HB1  ALA  11          1HB       PRG  11  -3.294   0.745   3.182
   89    HB2  ALA  11          2HB       PRG  11  -2.535   2.267   3.587
   90    H    PHE  12           H        PHE  12  -4.129   1.143  -0.097
   91    HA   PHE  12           HA       PHE  12  -5.459   3.703  -0.094
   92    HB2  PHE  12          2HB       PHE  12  -6.163   1.167  -1.612
   93    HB3  PHE  12          1HB       PHE  12  -6.908   2.735  -1.819
   94    HD1  PHE  12          1HD       PHE  12  -3.895   0.759  -2.507
   95    HD2  PHE  12          2HD       PHE  12  -5.793   4.538  -2.942
   96    HE1  PHE  12          1HE       PHE  12  -2.234   1.400  -4.210
   97    HE2  PHE  12          2HE       PHE  12  -4.138   5.178  -4.639
   98    HZ   PHE  12           HZ       PHE  12  -2.359   3.609  -5.274
   99    HA   PRO  13           HA       PRO  13  -8.136   3.495   3.310
  100    HB2  PRO  13          2HB       PRO  13 -10.120   3.700   1.092
  101    HB3  PRO  13          1HB       PRO  13 -10.164   4.445   2.696
  102    HG2  PRO  13          2HG       PRO  13  -9.220   5.815   0.633
  103    HG3  PRO  13          1HG       PRO  13  -8.438   5.919   2.215
  104    HD2  PRO  13          2HD       PRO  13  -7.450   4.672  -0.256
  105    HD3  PRO  13          1HD       PRO  13  -6.554   5.155   1.201
  106    H    ASP  14           H        ASP  14  -9.378   1.452   0.645
  107    HA   ASP  14           HA       ASP  14 -11.135  -0.043   2.324
  108    HB2  ASP  14          2HB       ASP  14 -11.583  -1.428   0.451
  109    HB3  ASP  14          1HB       ASP  14 -11.330   0.191  -0.191
  110    H1   WMH 101          1HG       AZH   3  -2.185  -2.221   4.487
  111    H2   WMH 101          2HG       AZH   3  -2.949  -1.240   3.242
  112    H5   WMH 101           HD       PRG  11   0.219   2.273   3.750
  Start of MODEL   11
    1    H1   GLY   1           H        GLY   1  -7.906  -0.342   1.561
    2    HA2  GLY   1          2HA       GLY   1  -7.459  -2.230   3.002
    3    HA3  GLY   1          1HA       GLY   1  -8.664  -3.138   2.082
    4    H    ARG   2           H        ARG   2  -5.967  -1.064   1.205
    5    HA   ARG   2           HA       ARG   2  -4.880  -3.272  -0.384
    6    HB2  ARG   2          2HB       ARG   2  -6.403  -1.644  -1.690
    7    HB3  ARG   2          1HB       ARG   2  -5.116  -0.488  -1.423
    8    HG2  ARG   2          2HG       ARG   2  -3.560  -1.872  -2.657
    9    HG3  ARG   2          1HG       ARG   2  -4.832  -3.071  -2.925
   10    HD2  ARG   2          2HD       ARG   2  -4.756  -0.230  -3.915
   11    HD3  ARG   2          1HD       ARG   2  -4.730  -1.710  -4.880
   12    HE   ARG   2           HE       ARG   2  -7.025  -1.898  -3.466
   13   HH11  ARG   2          1HH1      ARG   2  -5.753   0.499  -5.752
   14   HH12  ARG   2          2HH1      ARG   2  -7.279   1.127  -6.165
   15   HH21  ARG   2          1HH2      ARG   2  -9.093  -1.003  -3.944
   16   HH22  ARG   2          2HH2      ARG   2  -9.252   0.256  -5.090
   17    H    ALA   3           H        AZH   3  -3.215  -3.392   1.081
   18    HA   ALA   3           HA       AZH   3  -1.427  -1.087   1.215
   19    HB1  ALA   3          1HB       AZH   3  -0.378  -2.714   3.031
   20    HB2  ALA   3          2HB       AZH   3  -2.043  -3.258   3.133
   21    H    TYR   4           H        TYR   4   0.489  -1.175   0.413
   22    HA   TYR   4           HA       TYR   4   1.372  -3.673  -0.808
   23    HB2  TYR   4          2HB       TYR   4   2.165  -0.801  -1.374
   24    HB3  TYR   4          1HB       TYR   4   2.857  -2.205  -2.171
   25    HD1  TYR   4          1HD       TYR   4   1.657  -3.342  -3.925
   26    HD2  TYR   4          2HD       TYR   4  -0.160  -0.121  -1.839
   27    HE1  TYR   4          1HE       TYR   4  -0.087  -3.227  -5.641
   28    HE2  TYR   4          2HE       TYR   4  -1.912   0.010  -3.544
   29    HH   TYR   4           HH       TYR   4  -2.375  -2.420  -5.861
   30    H    LYS   5           H        LYS   5   3.564  -4.266  -0.508
   31    HA   LYS   5           HA       LYS   5   4.610  -3.404   2.077
   32    HB2  LYS   5          2HB       LYS   5   6.022  -5.384   1.977
   33    HB3  LYS   5          1HB       LYS   5   4.349  -5.801   1.648
   34    HG2  LYS   5          2HG       LYS   5   4.883  -5.882  -0.766
   35    HG3  LYS   5          1HG       LYS   5   6.567  -5.532  -0.378
   36    HD2  LYS   5          2HD       LYS   5   6.304  -7.910  -0.696
   37    HD3  LYS   5          1HD       LYS   5   6.631  -7.590   1.006
   38    HE2  LYS   5          2HE       LYS   5   4.230  -7.774   1.498
   39    HE3  LYS   5          1HE       LYS   5   3.908  -8.088  -0.205
   40    HZ1  LYS   5          1HZ       LYS   5   5.506  -9.812   1.617
   41    HZ2  LYS   5          2HZ       LYS   5   5.157 -10.138  -0.025
   42    HZ3  LYS   5          3HZ       LYS   5   3.931 -10.069   1.102
   43    H    SER   6           H        SER   6   4.909  -2.491  -0.986
   44    HA   SER   6           HA       SER   6   7.742  -2.104  -1.164
   45    HB2  SER   6          2HB       SER   6   5.466  -1.050  -2.843
   46    HB3  SER   6          1HB       SER   6   7.173  -1.050  -3.296
   47    HG   SER   6           HG       SER   6   7.037  -3.384  -2.927
   48    H    LYS   7           H        LYS   7   8.532   0.142  -1.642
   49    HA   LYS   7           HA       LYS   7   7.286   2.039   0.200
   50    HB2  LYS   7          2HB       LYS   7   9.547   2.973   0.533
   51    HB3  LYS   7          1HB       LYS   7   9.397   1.311   1.081
   52    HG2  LYS   7          2HG       LYS   7  10.474   0.584  -1.049
   53    HG3  LYS   7          1HG       LYS   7  10.759   2.284  -1.427
   54    HD2  LYS   7          2HD       LYS   7  11.783   0.821   1.009
   55    HD3  LYS   7          1HD       LYS   7  12.727   1.218  -0.424
   56    HE2  LYS   7          2HE       LYS   7  12.443   3.590   0.005
   57    HE3  LYS   7          1HE       LYS   7  11.387   3.236   1.372
   58    HZ1  LYS   7          1HZ       LYS   7  13.622   3.783   2.060
   59    HZ2  LYS   7          2HZ       LYS   7  14.250   2.462   1.202
   60    HZ3  LYS   7          3HZ       LYS   7  13.205   2.220   2.510
   61    HA   PRO   8           HA       PRO   8   7.563   4.378   0.672
   62    HB2  PRO   8          2HB       PRO   8   5.527   6.125   0.247
   63    HB3  PRO   8          1HB       PRO   8   7.213   6.548  -0.074
   64    HG2  PRO   8          2HG       PRO   8   5.104   5.612  -1.983
   65    HG3  PRO   8          1HG       PRO   8   6.242   6.962  -2.158
   66    HD2  PRO   8          2HD       PRO   8   6.685   4.594  -3.336
   67    HD3  PRO   8          1HD       PRO   8   8.011   5.566  -2.674
   68    HA   PRO   9           HA       PRO   9   4.152   1.837   1.903
   69    HB2  PRO   9          2HB       PRO   9   3.136   3.833   3.802
   70    HB3  PRO   9          1HB       PRO   9   3.816   2.241   4.125
   71    HG2  PRO   9          2HG       PRO   9   5.119   4.544   4.699
   72    HG3  PRO   9          1HG       PRO   9   5.955   3.042   4.292
   73    HD2  PRO   9          2HD       PRO   9   5.487   5.466   2.622
   74    HD3  PRO   9          1HD       PRO   9   6.866   4.351   2.644
   75    H    ILE  10           H        ILE  10   2.920   1.861   0.113
   76    HA   ILE  10           HA       ILE  10   0.900   3.914  -0.251
   77    HB   ILE  10           HB       ILE  10   1.570   1.490  -1.961
   78   HG12  ILE  10          2HG1      ILE  10   2.242   4.412  -2.406
   79   HG13  ILE  10          1HG1      ILE  10   3.381   3.194  -1.845
   80   HG21  ILE  10          1HG2      ILE  10  -0.202   3.861  -2.546
   81   HG22  ILE  10          2HG2      ILE  10  -0.747   2.214  -2.251
   82   HG23  ILE  10          3HG2      ILE  10   0.204   2.583  -3.690
   83   HD11  ILE  10          1HD1      ILE  10   3.125   1.993  -3.961
   84   HD12  ILE  10          2HD1      ILE  10   3.665   3.654  -4.212
   85   HD13  ILE  10          3HD1      ILE  10   1.981   3.216  -4.511
   86    H    ALA  11           H        PRG  11  -0.825   3.634   1.049
   87    HA   ALA  11           HA       PRG  11  -2.111   1.023   0.992
   88    HB1  ALA  11          1HB       PRG  11  -2.839   1.259   3.338
   89    HB2  ALA  11          2HB       PRG  11  -1.913   2.740   3.479
   90    H    PHE  12           H        PHE  12  -4.108   1.087   0.563
   91    HA   PHE  12           HA       PHE  12  -5.501   3.662   0.506
   92    HB2  PHE  12          2HB       PHE  12  -6.044   1.109  -1.038
   93    HB3  PHE  12          1HB       PHE  12  -7.088   2.504  -1.056
   94    HD1  PHE  12          1HD       PHE  12  -6.636   4.377  -2.378
   95    HD2  PHE  12          2HD       PHE  12  -3.748   1.277  -2.048
   96    HE1  PHE  12          1HE       PHE  12  -5.385   5.353  -4.250
   97    HE2  PHE  12          2HE       PHE  12  -2.489   2.256  -3.926
   98    HZ   PHE  12           HZ       PHE  12  -3.312   4.298  -5.022
   99    HA   PRO  13           HA       PRO  13  -7.899   2.113   3.963
  100    HB2  PRO  13          2HB       PRO  13 -10.115   3.746   3.522
  101    HB3  PRO  13          1HB       PRO  13  -8.699   4.178   4.483
  102    HG2  PRO  13          2HG       PRO  13  -9.373   4.876   1.675
  103    HG3  PRO  13          1HG       PRO  13  -8.553   5.853   2.906
  104    HD2  PRO  13          2HD       PRO  13  -7.233   4.679   0.881
  105    HD3  PRO  13          1HD       PRO  13  -6.505   4.856   2.491
  106    H    ASP  14           H        ASP  14  -8.756   1.907   0.719
  107    HA   ASP  14           HA       ASP  14 -11.160   0.438   0.769
  108    HB2  ASP  14          2HB       ASP  14 -10.342   1.235  -1.337
  109    HB3  ASP  14          1HB       ASP  14  -8.787   0.453  -1.106
  110    H1   WMH 101          1HG       AZH   3  -1.897  -1.632   4.781
  111    H2   WMH 101          2HG       AZH   3  -2.631  -0.780   3.425
  112    H5   WMH 101           HD       PRG  11   0.803   2.520   3.400
  Start of MODEL   12
    1    H1   GLY   1           H        GLY   1  -8.038  -0.412   1.690
    2    HA2  GLY   1          2HA       GLY   1  -7.421  -2.450   2.853
    3    HA3  GLY   1          1HA       GLY   1  -8.520  -3.318   1.798
    4    H    ARG   2           H        ARG   2  -6.107  -0.948   0.796
    5    HA   ARG   2           HA       ARG   2  -4.608  -3.184  -0.400
    6    HB2  ARG   2          2HB       ARG   2  -5.128  -0.498  -1.712
    7    HB3  ARG   2          1HB       ARG   2  -4.027  -1.712  -2.322
    8    HG2  ARG   2          2HG       ARG   2  -6.974  -2.147  -1.957
    9    HG3  ARG   2          1HG       ARG   2  -6.234  -1.615  -3.467
   10    HD2  ARG   2          2HD       ARG   2  -5.602  -4.195  -2.022
   11    HD3  ARG   2          1HD       ARG   2  -6.672  -4.049  -3.411
   12    HE   ARG   2           HE       ARG   2  -4.188  -2.948  -4.077
   13   HH11  ARG   2          1HH1      ARG   2  -5.671  -6.104  -3.516
   14   HH12  ARG   2          2HH1      ARG   2  -4.492  -6.958  -4.398
   15   HH21  ARG   2          1HH2      ARG   2  -2.637  -4.107  -5.339
   16   HH22  ARG   2          2HH2      ARG   2  -2.727  -5.815  -5.466
   17    H    ALA   3           H        AZH   3  -2.992  -3.264   1.037
   18    HA   ALA   3           HA       AZH   3  -1.344  -0.859   1.377
   19    HB1  ALA   3          1HB       AZH   3  -0.226  -2.563   3.115
   20    HB2  ALA   3          2HB       AZH   3  -1.849  -3.225   3.113
   21    H    TYR   4           H        TYR   4   0.619  -0.825   0.586
   22    HA   TYR   4           HA       TYR   4   1.596  -3.279  -0.660
   23    HB2  TYR   4          2HB       TYR   4   2.006  -0.393  -1.456
   24    HB3  TYR   4          1HB       TYR   4   2.886  -1.741  -2.167
   25    HD1  TYR   4          1HD       TYR   4  -0.398  -0.102  -1.902
   26    HD2  TYR   4          2HD       TYR   4   1.817  -3.254  -3.694
   27    HE1  TYR   4          1HE       TYR   4  -2.212  -0.455  -3.511
   28    HE2  TYR   4          2HE       TYR   4   0.022  -3.613  -5.302
   29    HH   TYR   4           HH       TYR   4  -2.420  -1.410  -5.807
   30    H    LYS   5           H        LYS   5   3.323  -4.090   0.132
   31    HA   LYS   5           HA       LYS   5   4.679  -2.876   2.310
   32    HB2  LYS   5          2HB       LYS   5   6.037  -4.854   2.470
   33    HB3  LYS   5          1HB       LYS   5   4.400  -5.357   2.108
   34    HG2  LYS   5          2HG       LYS   5   6.617  -5.175   0.065
   35    HG3  LYS   5          1HG       LYS   5   6.189  -6.648   0.925
   36    HD2  LYS   5          2HD       LYS   5   3.950  -6.571  -0.104
   37    HD3  LYS   5          1HD       LYS   5   4.399  -5.075  -0.931
   38    HE2  LYS   5          2HE       LYS   5   5.776  -7.731  -1.298
   39    HE3  LYS   5          1HE       LYS   5   4.564  -7.056  -2.384
   40    HZ1  LYS   5          1HZ       LYS   5   6.057  -5.173  -2.796
   41    HZ2  LYS   5          2HZ       LYS   5   6.758  -6.627  -3.219
   42    HZ3  LYS   5          3HZ       LYS   5   7.235  -5.862  -1.805
   43    H    SER   6           H        SER   6   5.173  -2.768  -1.075
   44    HA   SER   6           HA       SER   6   7.936  -2.170  -0.972
   45    HB2  SER   6          2HB       SER   6   5.879  -1.731  -3.140
   46    HB3  SER   6          1HB       SER   6   7.622  -1.531  -3.343
   47    HG   SER   6           HG       SER   6   7.925  -3.643  -2.939
   48    H    LYS   7           H        LYS   7   8.916  -0.250  -0.910
   49    HA   LYS   7           HA       LYS   7   7.405   1.884   0.265
   50    HB2  LYS   7          2HB       LYS   7  10.344   1.625  -0.296
   51    HB3  LYS   7          1HB       LYS   7   9.600   2.930   0.627
   52    HG2  LYS   7          2HG       LYS   7   8.837   1.338   2.287
   53    HG3  LYS   7          1HG       LYS   7   9.519   0.017   1.346
   54    HD2  LYS   7          2HD       LYS   7  11.066   2.272   2.632
   55    HD3  LYS   7          1HD       LYS   7  10.960   0.621   3.234
   56    HE2  LYS   7          2HE       LYS   7  12.973   0.494   2.110
   57    HE3  LYS   7          1HE       LYS   7  11.830   0.060   0.835
   58    HZ1  LYS   7          1HZ       LYS   7  11.961   2.353  -0.021
   59    HZ2  LYS   7          2HZ       LYS   7  13.495   1.680   0.075
   60    HZ3  LYS   7          3HZ       LYS   7  12.987   2.758   1.237
   61    HA   PRO   8           HA       PRO   8   7.440   4.121   0.576
   62    HB2  PRO   8          2HB       PRO   8   5.369   5.723  -0.759
   63    HB3  PRO   8          1HB       PRO   8   6.699   6.267   0.267
   64    HG2  PRO   8          2HG       PRO   8   6.684   6.747  -2.375
   65    HG3  PRO   8          1HG       PRO   8   8.181   6.392  -1.492
   66    HD2  PRO   8          2HD       PRO   8   6.512   4.564  -3.183
   67    HD3  PRO   8          1HD       PRO   8   8.276   4.788  -3.161
   68    HA   PRO   9           HA       PRO   9   4.047   1.192   0.770
   69    HB2  PRO   9          2HB       PRO   9   3.691   2.155   3.536
   70    HB3  PRO   9          1HB       PRO   9   4.073   0.528   2.962
   71    HG2  PRO   9          2HG       PRO   9   5.913   2.016   4.201
   72    HG3  PRO   9          1HG       PRO   9   6.346   0.961   2.843
   73    HD2  PRO   9          2HD       PRO   9   5.898   3.923   2.867
   74    HD3  PRO   9          1HD       PRO   9   7.181   2.969   2.086
   75    H    ILE  10           H        ILE  10   2.344   1.864  -0.302
   76    HA   ILE  10           HA       ILE  10   0.813   4.102   0.757
   77    HB   ILE  10           HB       ILE  10   1.461   4.454  -1.555
   78   HG12  ILE  10          2HG1      ILE  10  -0.759   4.682  -2.677
   79   HG13  ILE  10          1HG1      ILE  10  -1.474   3.737  -1.380
   80   HG21  ILE  10          1HG2      ILE  10   1.877   2.184  -2.244
   81   HG22  ILE  10          2HG2      ILE  10   0.803   2.994  -3.385
   82   HG23  ILE  10          3HG2      ILE  10   0.146   1.843  -2.225
   83   HD11  ILE  10          1HD1      ILE  10  -0.842   5.468   0.221
   84   HD12  ILE  10          2HD1      ILE  10  -1.854   6.116  -1.073
   85   HD13  ILE  10          3HD1      ILE  10  -0.113   6.398  -1.085
   86    H    ALA  11           H        PRG  11  -1.081   3.739   1.668
   87    HA   ALA  11           HA       PRG  11  -2.285   1.114   1.285
   88    HB1  ALA  11          1HB       PRG  11  -3.061   1.127   3.602
   89    HB2  ALA  11          2HB       PRG  11  -2.308   2.686   3.867
   90    H    PHE  12           H        PHE  12  -4.111   1.205   0.483
   91    HA   PHE  12           HA       PHE  12  -5.623   3.681   0.409
   92    HB2  PHE  12          2HB       PHE  12  -6.061   1.054  -1.031
   93    HB3  PHE  12          1HB       PHE  12  -7.002   2.511  -1.274
   94    HD1  PHE  12          1HD       PHE  12  -3.673   0.976  -1.814
   95    HD2  PHE  12          2HD       PHE  12  -6.203   4.306  -2.598
   96    HE1  PHE  12          1HE       PHE  12  -2.120   1.743  -3.564
   97    HE2  PHE  12          2HE       PHE  12  -4.653   5.074  -4.338
   98    HZ   PHE  12           HZ       PHE  12  -2.612   3.794  -4.826
   99    HA   PRO  13           HA       PRO  13  -8.155   2.448   3.890
  100    HB2  PRO  13          2HB       PRO  13 -10.253   3.945   2.401
  101    HB3  PRO  13          1HB       PRO  13  -9.730   4.110   4.081
  102    HG2  PRO  13          2HG       PRO  13  -8.981   5.900   2.289
  103    HG3  PRO  13          1HG       PRO  13  -7.830   5.316   3.505
  104    HD2  PRO  13          2HD       PRO  13  -8.041   4.610   0.607
  105    HD3  PRO  13          1HD       PRO  13  -6.605   4.869   1.625
  106    H    ASP  14           H        ASP  14  -8.972   1.632   0.661
  107    HA   ASP  14           HA       ASP  14 -11.242   0.037   1.479
  108    HB2  ASP  14          2HB       ASP  14 -11.500  -0.584  -0.891
  109    HB3  ASP  14          1HB       ASP  14 -11.452   1.155  -0.665
  110    H1   WMH 101          1HG       AZH   3  -1.824  -1.751   4.905
  111    H2   WMH 101          2HG       AZH   3  -2.648  -0.868   3.623
  112    H5   WMH 101           HD       PRG  11   0.426   2.760   3.856
  Start of MODEL   13
    1    H1   GLY   1           H        GLY   1  -8.031  -0.375   1.641
    2    HA2  GLY   1          2HA       GLY   1  -7.416  -2.058   3.358
    3    HA3  GLY   1          1HA       GLY   1  -8.592  -3.110   2.579
    4    H    ARG   2           H        ARG   2  -6.199  -0.964   1.136
    5    HA   ARG   2           HA       ARG   2  -5.045  -3.341  -0.145
    6    HB2  ARG   2          2HB       ARG   2  -5.469  -0.644  -1.430
    7    HB3  ARG   2          1HB       ARG   2  -4.646  -2.001  -2.162
    8    HG2  ARG   2          2HG       ARG   2  -7.552  -1.969  -1.373
    9    HG3  ARG   2          1HG       ARG   2  -6.924  -1.703  -3.001
   10    HD2  ARG   2          2HD       ARG   2  -6.616  -4.217  -1.357
   11    HD3  ARG   2          1HD       ARG   2  -7.704  -3.994  -2.724
   12    HE   ARG   2           HE       ARG   2  -4.977  -3.452  -3.390
   13   HH11  ARG   2          1HH1      ARG   2  -7.396  -6.034  -3.120
   14   HH12  ARG   2          2HH1      ARG   2  -6.541  -7.106  -4.125
   15   HH21  ARG   2          1HH2      ARG   2  -3.805  -4.917  -4.699
   16   HH22  ARG   2          2HH2      ARG   2  -4.416  -6.486  -4.988
   17    H    ALA   3           H        AZH   3  -3.273  -3.462   1.138
   18    HA   ALA   3           HA       AZH   3  -1.538  -1.105   1.224
   19    HB1  ALA   3          1HB       AZH   3  -0.344  -2.769   2.949
   20    HB2  ALA   3          2HB       AZH   3  -1.983  -3.385   3.078
   21    H    TYR   4           H        TYR   4   0.355  -1.134   0.290
   22    HA   TYR   4           HA       TYR   4   1.205  -3.626  -0.979
   23    HB2  TYR   4          2HB       TYR   4   1.542  -0.791  -2.005
   24    HB3  TYR   4          1HB       TYR   4   2.129  -2.246  -2.806
   25    HD1  TYR   4          1HD       TYR   4  -0.683  -0.055  -2.325
   26    HD2  TYR   4          2HD       TYR   4   0.426  -3.964  -3.580
   27    HE1  TYR   4          1HE       TYR   4  -2.865  -0.326  -3.410
   28    HE2  TYR   4          2HE       TYR   4  -1.743  -4.238  -4.667
   29    HH   TYR   4           HH       TYR   4  -3.859  -1.707  -5.261
   30    H    LYS   5           H        LYS   5   3.128  -4.305  -0.505
   31    HA   LYS   5           HA       LYS   5   4.616  -2.801   1.456
   32    HB2  LYS   5          2HB       LYS   5   4.827  -5.641   0.534
   33    HB3  LYS   5          1HB       LYS   5   5.853  -4.927   1.773
   34    HG2  LYS   5          2HG       LYS   5   3.934  -4.526   3.186
   35    HG3  LYS   5          1HG       LYS   5   2.850  -5.110   1.924
   36    HD2  LYS   5          2HD       LYS   5   4.985  -6.751   3.272
   37    HD3  LYS   5          1HD       LYS   5   3.280  -6.773   3.713
   38    HE2  LYS   5          2HE       LYS   5   2.743  -7.502   1.392
   39    HE3  LYS   5          1HE       LYS   5   4.470  -7.574   1.055
   40    HZ1  LYS   5          1HZ       LYS   5   4.715  -9.280   2.714
   41    HZ2  LYS   5          2HZ       LYS   5   3.502  -9.730   1.627
   42    HZ3  LYS   5          3HZ       LYS   5   3.092  -9.130   3.145
   43    H    SER   6           H        SER   6   5.398  -1.275   0.120
   44    HA   SER   6           HA       SER   6   7.996  -1.897  -0.932
   45    HB2  SER   6          2HB       SER   6   5.886  -0.402  -2.542
   46    HB3  SER   6          1HB       SER   6   7.577  -0.606  -3.007
   47    HG   SER   6           HG       SER   6   6.620  -2.982  -2.443
   48    H    LYS   7           H        LYS   7   9.088   0.395  -1.277
   49    HA   LYS   7           HA       LYS   7   7.914   2.211   0.700
   50    HB2  LYS   7          2HB       LYS   7  10.829   1.856  -0.071
   51    HB3  LYS   7          1HB       LYS   7  10.226   3.074   1.045
   52    HG2  LYS   7          2HG       LYS   7   9.450   1.326   2.556
   53    HG3  LYS   7          1HG       LYS   7  10.023   0.089   1.437
   54    HD2  LYS   7          2HD       LYS   7  11.618   0.368   3.245
   55    HD3  LYS   7          1HD       LYS   7  12.326   0.940   1.739
   56    HE2  LYS   7          2HE       LYS   7  12.833   2.446   3.603
   57    HE3  LYS   7          1HE       LYS   7  11.857   3.254   2.384
   58    HZ1  LYS   7          1HZ       LYS   7  11.115   3.728   4.649
   59    HZ2  LYS   7          2HZ       LYS   7  10.804   2.107   4.926
   60    HZ3  LYS   7          3HZ       LYS   7   9.911   2.950   3.790
   61    HA   PRO   8           HA       PRO   8   7.475   4.225   1.159
   62    HB2  PRO   8          2HB       PRO   8   5.367   5.817  -0.072
   63    HB3  PRO   8          1HB       PRO   8   6.642   6.343   1.024
   64    HG2  PRO   8          2HG       PRO   8   6.558   7.067  -1.591
   65    HG3  PRO   8          1HG       PRO   8   8.072   6.889  -0.690
   66    HD2  PRO   8          2HD       PRO   8   6.769   4.984  -2.602
   67    HD3  PRO   8          1HD       PRO   8   8.482   5.427  -2.449
   68    HA   PRO   9           HA       PRO   9   4.233   1.205   0.973
   69    HB2  PRO   9          2HB       PRO   9   3.072   1.669   3.411
   70    HB3  PRO   9          1HB       PRO   9   4.569   0.759   3.201
   71    HG2  PRO   9          2HG       PRO   9   4.173   3.598   4.027
   72    HG3  PRO   9          1HG       PRO   9   5.346   2.410   4.622
   73    HD2  PRO   9          2HD       PRO   9   5.990   4.366   2.852
   74    HD3  PRO   9          1HD       PRO   9   6.796   2.785   2.883
   75    H    ILE  10           H        ILE  10   2.619   1.540  -0.351
   76    HA   ILE  10           HA       ILE  10   0.880   3.862  -0.003
   77    HB   ILE  10           HB       ILE  10   1.091   1.913  -2.321
   78   HG12  ILE  10          2HG1      ILE  10   3.110   3.281  -2.142
   79   HG13  ILE  10          1HG1      ILE  10   2.171   3.750  -3.553
   80   HG21  ILE  10          1HG2      ILE  10  -0.445   4.496  -2.117
   81   HG22  ILE  10          2HG2      ILE  10  -1.134   2.875  -2.156
   82   HG23  ILE  10          3HG2      ILE  10  -0.286   3.508  -3.567
   83   HD11  ILE  10          1HD1      ILE  10   3.085   5.693  -2.428
   84   HD12  ILE  10          2HD1      ILE  10   2.302   5.221  -0.924
   85   HD13  ILE  10          3HD1      ILE  10   1.324   5.697  -2.313
   86    H    ALA  11           H        PRG  11  -0.940   3.513   1.114
   87    HA   ALA  11           HA       PRG  11  -2.245   0.914   0.809
   88    HB1  ALA  11          1HB       PRG  11  -3.007   0.955   3.110
   89    HB2  ALA  11          2HB       PRG  11  -2.243   2.504   3.382
   90    H    PHE  12           H        PHE  12  -4.202   1.055   0.194
   91    HA   PHE  12           HA       PHE  12  -5.520   3.653   0.201
   92    HB2  PHE  12          2HB       PHE  12  -6.216   1.136  -1.348
   93    HB3  PHE  12          1HB       PHE  12  -7.115   2.636  -1.405
   94    HD1  PHE  12          1HD       PHE  12  -4.065   0.954  -2.436
   95    HD2  PHE  12          2HD       PHE  12  -6.276   4.575  -2.546
   96    HE1  PHE  12          1HE       PHE  12  -2.630   1.773  -4.276
   97    HE2  PHE  12          2HE       PHE  12  -4.859   5.399  -4.373
   98    HZ   PHE  12           HZ       PHE  12  -3.032   3.998  -5.238
   99    HA   PRO  13           HA       PRO  13  -7.908   2.680   3.806
  100    HB2  PRO  13          2HB       PRO  13 -10.024   4.157   2.321
  101    HB3  PRO  13          1HB       PRO  13  -9.463   4.367   3.984
  102    HG2  PRO  13          2HG       PRO  13  -8.684   6.065   2.117
  103    HG3  PRO  13          1HG       PRO  13  -7.523   5.478   3.321
  104    HD2  PRO  13          2HD       PRO  13  -7.825   4.718   0.453
  105    HD3  PRO  13          1HD       PRO  13  -6.363   4.906   1.448
  106    H    ASP  14           H        ASP  14  -9.078   1.718   0.691
  107    HA   ASP  14           HA       ASP  14 -11.397   0.278   1.505
  108    HB2  ASP  14          2HB       ASP  14 -11.057   0.781  -0.843
  109    HB3  ASP  14          1HB       ASP  14  -9.550  -0.121  -0.856
  110    H1   WMH 101          1HG       AZH   3  -1.812  -1.840   4.797
  111    H2   WMH 101          2HG       AZH   3  -2.687  -0.990   3.525
  112    H5   WMH 101           HD       PRG  11   0.525   2.499   3.248
  Start of MODEL   14
    1    H1   GLY   1           H        GLY   1  -8.099  -0.541   1.827
    2    HA2  GLY   1          2HA       GLY   1  -7.344  -2.125   3.552
    3    HA3  GLY   1          1HA       GLY   1  -8.555  -3.241   2.926
    4    H    ARG   2           H        ARG   2  -5.896  -1.276   1.711
    5    HA   ARG   2           HA       ARG   2  -4.813  -3.561   0.292
    6    HB2  ARG   2          2HB       ARG   2  -6.554  -2.588  -1.201
    7    HB3  ARG   2          1HB       ARG   2  -5.709  -1.054  -1.138
    8    HG2  ARG   2          2HG       ARG   2  -3.806  -2.014  -2.261
    9    HG3  ARG   2          1HG       ARG   2  -4.563  -3.606  -2.256
   10    HD2  ARG   2          2HD       ARG   2  -5.547  -1.130  -3.679
   11    HD3  ARG   2          1HD       ARG   2  -4.868  -2.580  -4.417
   12    HE   ARG   2           HE       ARG   2  -7.061  -3.378  -2.912
   13   HH11  ARG   2          1HH1      ARG   2  -6.448  -1.488  -5.844
   14   HH12  ARG   2          2HH1      ARG   2  -8.004  -1.724  -6.482
   15   HH21  ARG   2          1HH2      ARG   2  -9.196  -3.682  -3.789
   16   HH22  ARG   2          2HH2      ARG   2  -9.615  -2.990  -5.280
   17    H    ALA   3           H        AZH   3  -2.682  -3.421   0.680
   18    HA   ALA   3           HA       AZH   3  -1.444  -0.775   0.836
   19    HB1  ALA   3          1HB       AZH   3   0.097  -2.046   2.554
   20    HB2  ALA   3          2HB       AZH   3  -1.333  -3.033   2.784
   21    H    TYR   4           H        TYR   4   0.356  -0.568  -0.232
   22    HA   TYR   4           HA       TYR   4   1.401  -2.808  -1.739
   23    HB2  TYR   4          2HB       TYR   4   1.987   0.160  -1.742
   24    HB3  TYR   4          1HB       TYR   4   2.896  -0.993  -2.707
   25    HD1  TYR   4          1HD       TYR   4   2.107  -1.654  -4.793
   26    HD2  TYR   4          2HD       TYR   4  -0.528   0.375  -2.165
   27    HE1  TYR   4          1HE       TYR   4   0.480  -1.467  -6.601
   28    HE2  TYR   4          2HE       TYR   4  -2.180   0.566  -3.963
   29    HH   TYR   4           HH       TYR   4  -1.952  -1.208  -6.799
   30    H    LYS   5           H        LYS   5   2.937  -4.024  -0.866
   31    HA   LYS   5           HA       LYS   5   4.385  -3.070   1.437
   32    HB2  LYS   5          2HB       LYS   5   4.570  -5.726   0.008
   33    HB3  LYS   5          1HB       LYS   5   5.345  -5.335   1.534
   34    HG2  LYS   5          2HG       LYS   5   3.167  -5.052   2.580
   35    HG3  LYS   5          1HG       LYS   5   2.369  -5.417   1.053
   36    HD2  LYS   5          2HD       LYS   5   3.491  -7.632   1.061
   37    HD3  LYS   5          1HD       LYS   5   4.144  -7.252   2.655
   38    HE2  LYS   5          2HE       LYS   5   1.839  -6.984   3.495
   39    HE3  LYS   5          1HE       LYS   5   1.234  -7.456   1.907
   40    HZ1  LYS   5          1HZ       LYS   5   1.238  -9.344   3.407
   41    HZ2  LYS   5          2HZ       LYS   5   2.862  -9.108   3.737
   42    HZ3  LYS   5          3HZ       LYS   5   2.402  -9.603   2.204
   43    H    SER   6           H        SER   6   5.308  -1.389   0.171
   44    HA   SER   6           HA       SER   6   7.943  -2.111  -0.814
   45    HB2  SER   6          2HB       SER   6   6.025  -0.265  -2.268
   46    HB3  SER   6          1HB       SER   6   7.675  -0.644  -2.757
   47    HG   SER   6           HG       SER   6   7.039  -2.765  -3.134
   48    H    LYS   7           H        LYS   7   9.239  -0.027  -0.849
   49    HA   LYS   7           HA       LYS   7   8.163   1.883   1.077
   50    HB2  LYS   7          2HB       LYS   7  11.005   1.008   0.541
   51    HB3  LYS   7          1HB       LYS   7  10.601   2.404   1.529
   52    HG2  LYS   7          2HG       LYS   7   9.431   0.977   3.107
   53    HG3  LYS   7          1HG       LYS   7   9.735  -0.428   2.090
   54    HD2  LYS   7          2HD       LYS   7  11.294  -0.325   3.982
   55    HD3  LYS   7          1HD       LYS   7  12.135  -0.191   2.443
   56    HE2  LYS   7          2HE       LYS   7  13.043   1.370   4.087
   57    HE3  LYS   7          1HE       LYS   7  12.311   2.239   2.747
   58    HZ1  LYS   7          1HZ       LYS   7  11.747   3.223   4.854
   59    HZ2  LYS   7          2HZ       LYS   7  11.066   1.784   5.410
   60    HZ3  LYS   7          3HZ       LYS   7  10.352   2.619   4.135
   61    HA   PRO   8           HA       PRO   8   7.619   3.792   1.367
   62    HB2  PRO   8          2HB       PRO   8   5.953   5.685  -0.002
   63    HB3  PRO   8          1HB       PRO   8   7.200   6.011   1.202
   64    HG2  PRO   8          2HG       PRO   8   7.392   6.752  -1.439
   65    HG3  PRO   8          1HG       PRO   8   8.785   6.466  -0.384
   66    HD2  PRO   8          2HD       PRO   8   7.535   4.639  -2.401
   67    HD3  PRO   8          1HD       PRO   8   9.254   4.957  -2.079
   68    HA   PRO   9           HA       PRO   9   4.095   1.329   0.302
   69    HB2  PRO   9          2HB       PRO   9   2.874   1.266   2.691
   70    HB3  PRO   9          1HB       PRO   9   4.392   0.417   2.388
   71    HG2  PRO   9          2HG       PRO   9   3.905   2.968   3.842
   72    HG3  PRO   9          1HG       PRO   9   5.106   1.707   4.160
   73    HD2  PRO   9          2HD       PRO   9   5.585   4.118   2.834
   74    HD3  PRO   9          1HD       PRO   9   6.626   2.681   2.797
   75    H    ILE  10           H        ILE  10   2.366   1.891  -0.776
   76    HA   ILE  10           HA       ILE  10   0.834   4.247   0.035
   77    HB   ILE  10           HB       ILE  10   0.749   2.660  -2.564
   78   HG12  ILE  10          2HG1      ILE  10   1.931   5.398  -2.013
   79   HG13  ILE  10          1HG1      ILE  10   2.859   3.926  -2.262
   80   HG21  ILE  10          1HG2      ILE  10  -0.631   4.509  -3.423
   81   HG22  ILE  10          2HG2      ILE  10  -0.610   5.261  -1.828
   82   HG23  ILE  10          3HG2      ILE  10  -1.401   3.700  -2.057
   83   HD11  ILE  10          1HD1      ILE  10   1.070   5.256  -4.287
   84   HD12  ILE  10          2HD1      ILE  10   2.004   3.782  -4.550
   85   HD13  ILE  10          3HD1      ILE  10   2.832   5.312  -4.258
   86    H    ALA  11           H        PRG  11  -1.188   3.920   0.905
   87    HA   ALA  11           HA       PRG  11  -2.303   1.236   0.595
   88    HB1  ALA  11          1HB       PRG  11  -3.128   1.219   2.873
   89    HB2  ALA  11          2HB       PRG  11  -2.558   2.852   3.142
   90    H    PHE  12           H        PHE  12  -4.534   1.131   0.713
   91    HA   PHE  12           HA       PHE  12  -5.918   3.664   0.285
   92    HB2  PHE  12          2HB       PHE  12  -6.262   1.072  -1.242
   93    HB3  PHE  12          1HB       PHE  12  -7.441   2.378  -1.291
   94    HD1  PHE  12          1HD       PHE  12  -4.216   1.204  -2.480
   95    HD2  PHE  12          2HD       PHE  12  -6.840   4.547  -2.289
   96    HE1  PHE  12          1HE       PHE  12  -2.941   2.332  -4.290
   97    HE2  PHE  12          2HE       PHE  12  -5.577   5.648  -4.077
   98    HZ   PHE  12           HZ       PHE  12  -3.624   4.532  -5.071
   99    HA   PRO  13           HA       PRO  13  -8.359   2.748   3.881
  100    HB2  PRO  13          2HB       PRO  13 -10.502   3.851   2.119
  101    HB3  PRO  13          1HB       PRO  13 -10.141   4.222   3.806
  102    HG2  PRO  13          2HG       PRO  13  -9.356   5.893   1.930
  103    HG3  PRO  13          1HG       PRO  13  -8.260   5.489   3.259
  104    HD2  PRO  13          2HD       PRO  13  -8.198   4.588   0.418
  105    HD3  PRO  13          1HD       PRO  13  -6.862   4.921   1.541
  106    H    ASP  14           H        ASP  14  -9.316   1.496   0.787
  107    HA   ASP  14           HA       ASP  14 -11.518  -0.089   1.605
  108    HB2  ASP  14          2HB       ASP  14 -11.095   0.331  -0.771
  109    HB3  ASP  14          1HB       ASP  14  -9.581  -0.564  -0.676
  110    H1   WMH 101          1HG       AZH   3  -1.628  -1.488   4.434
  111    H2   WMH 101          2HG       AZH   3  -2.516  -0.725   3.126
  112    H5   WMH 101           HD       PRG  11   0.119   3.217   3.319
  Start of MODEL   15
    1    H1   GLY   1           H        GLY   1  -8.042  -0.301   1.526
    2    HA2  GLY   1          2HA       GLY   1  -7.654  -1.978   3.275
    3    HA3  GLY   1          1HA       GLY   1  -8.912  -2.937   2.508
    4    H    ARG   2           H        ARG   2  -5.998  -1.231   1.358
    5    HA   ARG   2           HA       ARG   2  -4.947  -3.770   0.384
    6    HB2  ARG   2          2HB       ARG   2  -6.186  -2.826  -1.554
    7    HB3  ARG   2          1HB       ARG   2  -5.240  -1.349  -1.414
    8    HG2  ARG   2          2HG       ARG   2  -3.180  -2.734  -1.746
    9    HG3  ARG   2          1HG       ARG   2  -4.236  -4.091  -2.113
   10    HD2  ARG   2          2HD       ARG   2  -4.107  -1.474  -3.595
   11    HD3  ARG   2          1HD       ARG   2  -3.423  -3.000  -4.134
   12    HE   ARG   2           HE       ARG   2  -6.165  -3.338  -3.672
   13   HH11  ARG   2          1HH1      ARG   2  -3.945  -1.764  -5.960
   14   HH12  ARG   2          2HH1      ARG   2  -5.079  -1.791  -7.233
   15   HH21  ARG   2          1HH2      ARG   2  -7.678  -3.332  -5.423
   16   HH22  ARG   2          2HH2      ARG   2  -7.242  -2.663  -6.928
   17    H    ALA   3           H        AZH   3  -2.825  -3.829   0.837
   18    HA   ALA   3           HA       AZH   3  -1.449  -1.272   1.209
   19    HB1  ALA   3          1HB       AZH   3   0.018  -2.866   2.774
   20    HB2  ALA   3          2HB       AZH   3  -1.534  -3.673   2.936
   21    H    TYR   4           H        TYR   4   0.408  -0.981   0.188
   22    HA   TYR   4           HA       TYR   4   1.441  -3.218  -1.373
   23    HB2  TYR   4          2HB       TYR   4   1.965  -0.244  -1.573
   24    HB3  TYR   4          1HB       TYR   4   2.751  -1.462  -2.567
   25    HD1  TYR   4          1HD       TYR   4  -0.178   0.581  -2.110
   26    HD2  TYR   4          2HD       TYR   4   1.363  -2.797  -4.170
   27    HE1  TYR   4          1HE       TYR   4  -1.991   0.759  -3.743
   28    HE2  TYR   4          2HE       TYR   4  -0.443  -2.630  -5.810
   29    HH   TYR   4           HH       TYR   4  -2.345   0.061  -6.150
   30    H    LYS   5           H        LYS   5   3.108  -4.256  -0.547
   31    HA   LYS   5           HA       LYS   5   4.620  -2.949   1.508
   32    HB2  LYS   5          2HB       LYS   5   4.693  -5.805   0.553
   33    HB3  LYS   5          1HB       LYS   5   5.664  -5.184   1.878
   34    HG2  LYS   5          2HG       LYS   5   2.648  -5.342   1.764
   35    HG3  LYS   5          1HG       LYS   5   3.716  -6.325   2.760
   36    HD2  LYS   5          2HD       LYS   5   3.264  -3.334   3.005
   37    HD3  LYS   5          1HD       LYS   5   2.689  -4.578   4.105
   38    HE2  LYS   5          2HE       LYS   5   4.965  -5.165   4.697
   39    HE3  LYS   5          1HE       LYS   5   5.577  -4.010   3.517
   40    HZ1  LYS   5          1HZ       LYS   5   5.648  -3.173   5.781
   41    HZ2  LYS   5          2HZ       LYS   5   3.961  -3.260   5.895
   42    HZ3  LYS   5          3HZ       LYS   5   4.685  -2.213   4.793
   43    H    SER   6           H        SER   6   5.357  -1.448   0.066
   44    HA   SER   6           HA       SER   6   7.994  -2.048  -0.907
   45    HB2  SER   6          2HB       SER   6   5.874  -0.685  -2.610
   46    HB3  SER   6          1HB       SER   6   7.558  -0.934  -3.060
   47    HG   SER   6           HG       SER   6   6.519  -3.286  -2.384
   48    H    LYS   7           H        LYS   7   9.005   0.179  -1.355
   49    HA   LYS   7           HA       LYS   7   7.765   2.159   0.379
   50    HB2  LYS   7          2HB       LYS   7   9.917   3.382   0.260
   51    HB3  LYS   7          1HB       LYS   7  10.145   1.740   0.840
   52    HG2  LYS   7          2HG       LYS   7  10.990   1.050  -1.304
   53    HG3  LYS   7          1HG       LYS   7  10.636   2.630  -1.994
   54    HD2  LYS   7          2HD       LYS   7  12.997   2.457  -1.498
   55    HD3  LYS   7          1HD       LYS   7  12.252   3.632  -0.422
   56    HE2  LYS   7          2HE       LYS   7  12.191   2.002   1.374
   57    HE3  LYS   7          1HE       LYS   7  12.832   0.760   0.298
   58    HZ1  LYS   7          1HZ       LYS   7  14.526   1.697   1.712
   59    HZ2  LYS   7          2HZ       LYS   7  14.241   3.237   1.102
   60    HZ3  LYS   7          3HZ       LYS   7  14.847   2.011   0.090
   61    HA   PRO   8           HA       PRO   8   7.523   4.217   0.632
   62    HB2  PRO   8          2HB       PRO   8   5.499   5.978   0.332
   63    HB3  PRO   8          1HB       PRO   8   7.157   6.384  -0.122
   64    HG2  PRO   8          2HG       PRO   8   4.847   5.649  -1.842
   65    HG3  PRO   8          1HG       PRO   8   6.170   6.779  -2.162
   66    HD2  PRO   8          2HD       PRO   8   5.978   4.160  -3.118
   67    HD3  PRO   8          1HD       PRO   8   7.450   5.141  -3.091
   68    HA   PRO   9           HA       PRO   9   4.124   1.622   1.858
   69    HB2  PRO   9          2HB       PRO   9   3.250   2.858   4.148
   70    HB3  PRO   9          1HB       PRO   9   4.692   1.840   4.082
   71    HG2  PRO   9          2HG       PRO   9   4.469   4.815   4.032
   72    HG3  PRO   9          1HG       PRO   9   5.667   3.796   4.847
   73    HD2  PRO   9          2HD       PRO   9   6.169   5.085   2.510
   74    HD3  PRO   9          1HD       PRO   9   6.930   3.539   2.929
   75    H    ILE  10           H        ILE  10   2.744   2.004   0.207
   76    HA   ILE  10           HA       ILE  10   0.762   4.132   0.521
   77    HB   ILE  10           HB       ILE  10   1.430   2.446  -1.915
   78   HG12  ILE  10          2HG1      ILE  10   3.200   4.057  -1.451
   79   HG13  ILE  10          1HG1      ILE  10   2.305   4.541  -2.887
   80   HG21  ILE  10          1HG2      ILE  10  -0.485   4.763  -1.670
   81   HG22  ILE  10          2HG2      ILE  10  -0.929   3.070  -1.880
   82   HG23  ILE  10          3HG2      ILE  10  -0.073   3.923  -3.164
   83   HD11  ILE  10          1HD1      ILE  10   2.825   6.465  -1.514
   84   HD12  ILE  10          2HD1      ILE  10   2.038   5.719  -0.127
   85   HD13  ILE  10          3HD1      ILE  10   1.082   6.191  -1.533
   86    H    ALA  11           H        PRG  11  -0.997   3.488   1.479
   87    HA   ALA  11           HA       PRG  11  -2.006   0.827   0.822
   88    HB1  ALA  11          1HB       PRG  11  -2.923   0.597   3.085
   89    HB2  ALA  11          2HB       PRG  11  -2.324   2.182   3.528
   90    H    PHE  12           H        PHE  12  -4.113   0.766   0.380
   91    HA   PHE  12           HA       PHE  12  -5.391   3.365   0.006
   92    HB2  PHE  12          2HB       PHE  12  -6.155   0.654  -1.116
   93    HB3  PHE  12          1HB       PHE  12  -7.009   2.152  -1.438
   94    HD1  PHE  12          1HD       PHE  12  -4.204   3.718  -1.637
   95    HD2  PHE  12          2HD       PHE  12  -5.885   0.274  -3.488
   96    HE1  PHE  12          1HE       PHE  12  -2.805   4.095  -3.612
   97    HE2  PHE  12          2HE       PHE  12  -4.484   0.652  -5.461
   98    HZ   PHE  12           HZ       PHE  12  -2.933   2.571  -5.521
   99    HA   PRO  13           HA       PRO  13  -7.850   2.742   3.631
  100    HB2  PRO  13          2HB       PRO  13  -9.999   4.327   2.850
  101    HB3  PRO  13          1HB       PRO  13  -8.532   4.909   3.639
  102    HG2  PRO  13          2HG       PRO  13  -9.258   4.927   0.747
  103    HG3  PRO  13          1HG       PRO  13  -8.378   6.137   1.690
  104    HD2  PRO  13          2HD       PRO  13  -7.142   4.451   0.016
  105    HD3  PRO  13          1HD       PRO  13  -6.383   4.982   1.532
  106    H    ASP  14           H        ASP  14  -8.839   1.832   0.531
  107    HA   ASP  14           HA       ASP  14 -11.344   0.616   1.144
  108    HB2  ASP  14          2HB       ASP  14 -10.791   1.105  -1.164
  109    HB3  ASP  14          1HB       ASP  14  -9.356   0.092  -1.077
  110    H1   WMH 101          1HG       AZH   3  -1.506  -2.194   4.712
  111    H2   WMH 101          2HG       AZH   3  -2.461  -1.351   3.497
  112    H5   WMH 101           HD       PRG  11   0.486   2.415   3.529
  Start of MODEL   16
    1    H1   GLY   1           H        GLY   1  -7.887  -0.396   1.561
    2    HA2  GLY   1          2HA       GLY   1  -7.325  -1.943   3.360
    3    HA3  GLY   1          1HA       GLY   1  -8.409  -3.105   2.605
    4    H    ARG   2           H        ARG   2  -6.238  -1.114   0.738
    5    HA   ARG   2           HA       ARG   2  -4.704  -3.548   0.161
    6    HB2  ARG   2          2HB       ARG   2  -6.122  -2.746  -1.749
    7    HB3  ARG   2          1HB       ARG   2  -5.195  -1.253  -1.747
    8    HG2  ARG   2          2HG       ARG   2  -3.151  -2.531  -2.201
    9    HG3  ARG   2          1HG       ARG   2  -4.106  -4.011  -2.244
   10    HD2  ARG   2          2HD       ARG   2  -4.369  -1.655  -4.103
   11    HD3  ARG   2          1HD       ARG   2  -3.633  -3.205  -4.481
   12    HE   ARG   2           HE       ARG   2  -6.406  -3.277  -3.626
   13   HH11  ARG   2          1HH1      ARG   2  -4.129  -3.481  -6.310
   14   HH12  ARG   2          2HH1      ARG   2  -5.299  -3.836  -7.477
   15   HH21  ARG   2          1HH2      ARG   2  -8.023  -3.872  -5.218
   16   HH22  ARG   2          2HH2      ARG   2  -7.562  -4.134  -6.832
   17    H    ALA   3           H        AZH   3  -2.764  -3.439   0.959
   18    HA   ALA   3           HA       AZH   3  -1.451  -0.840   1.310
   19    HB1  ALA   3          1HB       AZH   3   0.010  -2.457   2.857
   20    HB2  ALA   3          2HB       AZH   3  -1.498  -3.349   2.894
   21    H    TYR   4           H        TYR   4   0.389  -0.436   0.337
   22    HA   TYR   4           HA       TYR   4   1.647  -2.466  -1.309
   23    HB2  TYR   4          2HB       TYR   4   1.997   0.507  -1.001
   24    HB3  TYR   4          1HB       TYR   4   3.224  -0.456  -1.814
   25    HD1  TYR   4          1HD       TYR   4   3.103  -0.515  -4.092
   26    HD2  TYR   4          2HD       TYR   4  -0.505  -0.049  -1.897
   27    HE1  TYR   4          1HE       TYR   4   1.860  -0.367  -6.191
   28    HE2  TYR   4          2HE       TYR   4  -1.765   0.095  -4.000
   29    HH   TYR   4           HH       TYR   4  -1.344   0.693  -6.387
   30    H    LYS   5           H        LYS   5   3.266  -3.599  -0.636
   31    HA   LYS   5           HA       LYS   5   4.343  -3.069   1.993
   32    HB2  LYS   5          2HB       LYS   5   4.753  -5.439   0.142
   33    HB3  LYS   5          1HB       LYS   5   5.512  -5.289   1.714
   34    HG2  LYS   5          2HG       LYS   5   3.630  -6.750   1.954
   35    HG3  LYS   5          1HG       LYS   5   3.215  -5.228   2.732
   36    HD2  LYS   5          2HD       LYS   5   2.002  -4.584   0.641
   37    HD3  LYS   5          1HD       LYS   5   2.319  -6.201   0.021
   38    HE2  LYS   5          2HE       LYS   5   0.796  -5.576   2.550
   39    HE3  LYS   5          1HE       LYS   5   0.055  -5.923   0.997
   40    HZ1  LYS   5          1HZ       LYS   5   0.054  -7.864   2.370
   41    HZ2  LYS   5          2HZ       LYS   5   1.710  -7.803   2.615
   42    HZ3  LYS   5          3HZ       LYS   5   1.090  -8.139   1.081
   43    H    SER   6           H        SER   6   5.224  -2.678  -1.272
   44    HA   SER   6           HA       SER   6   8.022  -2.314  -0.717
   45    HB2  SER   6          2HB       SER   6   6.396  -1.685  -3.195
   46    HB3  SER   6          1HB       SER   6   8.156  -1.694  -3.079
   47    HG   SER   6           HG       SER   6   7.230  -4.012  -2.168
   48    H    LYS   7           H        LYS   7   9.004  -0.361  -0.543
   49    HA   LYS   7           HA       LYS   7   7.570   1.882   0.403
   50    HB2  LYS   7          2HB       LYS   7   9.863   1.279   1.087
   51    HB3  LYS   7          1HB       LYS   7  10.415   1.578  -0.550
   52    HG2  LYS   7          2HG       LYS   7   9.852   3.968  -0.274
   53    HG3  LYS   7          1HG       LYS   7   9.338   3.635   1.381
   54    HD2  LYS   7          2HD       LYS   7  11.600   4.521   1.378
   55    HD3  LYS   7          1HD       LYS   7  11.606   2.844   1.917
   56    HE2  LYS   7          2HE       LYS   7  12.283   2.151  -0.382
   57    HE3  LYS   7          1HE       LYS   7  12.348   3.854  -0.838
   58    HZ1  LYS   7          1HZ       LYS   7  14.011   2.504   1.203
   59    HZ2  LYS   7          2HZ       LYS   7  14.055   4.149   0.863
   60    HZ3  LYS   7          3HZ       LYS   7  14.517   3.047  -0.310
   61    HA   PRO   8           HA       PRO   8   7.406   4.067   0.434
   62    HB2  PRO   8          2HB       PRO   8   5.454   5.804  -0.255
   63    HB3  PRO   8          1HB       PRO   8   7.161   6.155  -0.538
   64    HG2  PRO   8          2HG       PRO   8   5.090   5.168  -2.451
   65    HG3  PRO   8          1HG       PRO   8   6.343   6.394  -2.698
   66    HD2  PRO   8          2HD       PRO   8   6.561   3.810  -3.558
   67    HD3  PRO   8          1HD       PRO   8   7.953   4.829  -3.149
   68    HA   PRO   9           HA       PRO   9   3.986   1.247   1.172
   69    HB2  PRO   9          2HB       PRO   9   3.795   2.535   3.818
   70    HB3  PRO   9          1HB       PRO   9   4.127   0.849   3.423
   71    HG2  PRO   9          2HG       PRO   9   6.039   2.455   4.382
   72    HG3  PRO   9          1HG       PRO   9   6.391   1.211   3.167
   73    HD2  PRO   9          2HD       PRO   9   6.035   4.161   2.813
   74    HD3  PRO   9          1HD       PRO   9   7.229   3.061   2.087
   75    H    ILE  10           H        ILE  10   2.330   1.973  -0.011
   76    HA   ILE  10           HA       ILE  10   0.749   4.243   0.977
   77    HB   ILE  10           HB       ILE  10   0.673   2.887  -1.750
   78   HG12  ILE  10          2HG1      ILE  10   1.822   5.590  -0.998
   79   HG13  ILE  10          1HG1      ILE  10   2.777   4.154  -1.335
   80   HG21  ILE  10          1HG2      ILE  10  -1.477   3.871  -1.119
   81   HG22  ILE  10          2HG2      ILE  10  -0.733   4.789  -2.427
   82   HG23  ILE  10          3HG2      ILE  10  -0.684   5.409  -0.778
   83   HD11  ILE  10          1HD1      ILE  10   1.933   4.141  -3.632
   84   HD12  ILE  10          2HD1      ILE  10   2.738   5.661  -3.239
   85   HD13  ILE  10          3HD1      ILE  10   0.976   5.580  -3.283
   86    H    ALA  11           H        PRG  11  -1.225   3.759   1.860
   87    HA   ALA  11           HA       PRG  11  -2.239   1.085   1.313
   88    HB1  ALA  11          1HB       PRG  11  -3.104   0.903   3.598
   89    HB2  ALA  11          2HB       PRG  11  -2.466   2.486   3.990
   90    H    PHE  12           H        PHE  12  -3.924   1.221   0.246
   91    HA   PHE  12           HA       PHE  12  -5.516   3.598   0.121
   92    HB2  PHE  12          2HB       PHE  12  -5.719   0.919  -1.267
   93    HB3  PHE  12          1HB       PHE  12  -6.868   2.226  -1.528
   94    HD1  PHE  12          1HD       PHE  12  -6.263   4.173  -2.759
   95    HD2  PHE  12          2HD       PHE  12  -3.413   1.099  -2.087
   96    HE1  PHE  12          1HE       PHE  12  -4.800   5.167  -4.471
   97    HE2  PHE  12          2HE       PHE  12  -1.940   2.097  -3.802
   98    HZ   PHE  12           HZ       PHE  12  -2.636   4.123  -4.991
   99    HA   PRO  13           HA       PRO  13  -8.254   2.773   3.519
  100    HB2  PRO  13          2HB       PRO  13 -10.263   3.909   1.620
  101    HB3  PRO  13          1HB       PRO  13  -9.967   4.318   3.318
  102    HG2  PRO  13          2HG       PRO  13  -9.079   5.911   1.414
  103    HG3  PRO  13          1HG       PRO  13  -8.051   5.546   2.810
  104    HD2  PRO  13          2HD       PRO  13  -7.883   4.518   0.014
  105    HD3  PRO  13          1HD       PRO  13  -6.590   4.909   1.162
  106    H    ASP  14           H        ASP  14  -8.978   1.605   0.349
  107    HA   ASP  14           HA       ASP  14 -11.235  -0.023   0.874
  108    HB2  ASP  14          2HB       ASP  14 -10.584   0.484  -1.408
  109    HB3  ASP  14          1HB       ASP  14  -9.030  -0.306  -1.183
  110    H1   WMH 101          1HG       AZH   3  -1.668  -2.016   4.764
  111    H2   WMH 101          2HG       AZH   3  -2.558  -1.084   3.567
  112    H5   WMH 101           HD       PRG  11   0.266   2.730   4.129
  Start of MODEL   17
    1    H1   GLY   1           H        GLY   1  -7.979  -0.237   1.681
    2    HA2  GLY   1          2HA       GLY   1  -7.205  -1.658   3.459
    3    HA3  GLY   1          1HA       GLY   1  -8.296  -2.909   2.880
    4    H    ARG   2           H        ARG   2  -6.106  -0.869   1.022
    5    HA   ARG   2           HA       ARG   2  -4.734  -3.338   0.233
    6    HB2  ARG   2          2HB       ARG   2  -5.218  -0.914  -1.500
    7    HB3  ARG   2          1HB       ARG   2  -4.306  -2.334  -1.972
    8    HG2  ARG   2          2HG       ARG   2  -6.309  -3.702  -1.747
    9    HG3  ARG   2          1HG       ARG   2  -7.230  -2.273  -1.275
   10    HD2  ARG   2          2HD       ARG   2  -7.615  -2.720  -3.600
   11    HD3  ARG   2          1HD       ARG   2  -6.667  -1.246  -3.447
   12    HE   ARG   2           HE       ARG   2  -4.934  -3.424  -3.778
   13   HH11  ARG   2          1HH1      ARG   2  -7.260  -1.480  -5.621
   14   HH12  ARG   2          2HH1      ARG   2  -6.614  -1.877  -7.145
   15   HH21  ARG   2          1HH2      ARG   2  -4.034  -3.952  -5.900
   16   HH22  ARG   2          2HH2      ARG   2  -4.741  -3.284  -7.302
   17    H    ALA   3           H        AZH   3  -2.960  -3.309   1.358
   18    HA   ALA   3           HA       AZH   3  -1.319  -0.878   1.479
   19    HB1  ALA   3          1HB       AZH   3  -0.121  -2.382   3.271
   20    HB2  ALA   3          2HB       AZH   3  -1.645  -3.242   3.300
   21    H    TYR   4           H        TYR   4   0.596  -0.913   0.559
   22    HA   TYR   4           HA       TYR   4   1.401  -3.382  -0.761
   23    HB2  TYR   4          2HB       TYR   4   1.902  -0.490  -1.427
   24    HB3  TYR   4          1HB       TYR   4   2.872  -1.781  -2.140
   25    HD1  TYR   4          1HD       TYR   4   2.028  -3.114  -3.883
   26    HD2  TYR   4          2HD       TYR   4  -0.585  -0.466  -1.831
   27    HE1  TYR   4          1HE       TYR   4   0.299  -3.550  -5.550
   28    HE2  TYR   4          2HE       TYR   4  -2.330  -0.893  -3.498
   29    HH   TYR   4           HH       TYR   4  -2.493  -1.649  -5.796
   30    H    LYS   5           H        LYS   5   3.622  -3.930  -0.866
   31    HA   LYS   5           HA       LYS   5   4.877  -3.505   1.719
   32    HB2  LYS   5          2HB       LYS   5   5.805  -5.269  -0.568
   33    HB3  LYS   5          1HB       LYS   5   6.440  -5.266   1.057
   34    HG2  LYS   5          2HG       LYS   5   5.142  -7.226   0.866
   35    HG3  LYS   5          1HG       LYS   5   4.152  -6.113   1.802
   36    HD2  LYS   5          2HD       LYS   5   2.715  -5.695  -0.023
   37    HD3  LYS   5          1HD       LYS   5   3.847  -6.374  -1.186
   38    HE2  LYS   5          2HE       LYS   5   2.011  -7.911  -0.847
   39    HE3  LYS   5          1HE       LYS   5   3.486  -8.605  -0.199
   40    HZ1  LYS   5          1HZ       LYS   5   2.717  -7.921   2.044
   41    HZ2  LYS   5          2HZ       LYS   5   1.655  -8.971   1.275
   42    HZ3  LYS   5          3HZ       LYS   5   1.302  -7.328   1.329
   43    H    SER   6           H        SER   6   5.163  -2.641  -1.612
   44    HA   SER   6           HA       SER   6   7.837  -1.914  -1.744
   45    HB2  SER   6          2HB       SER   6   6.953  -0.502  -3.679
   46    HB3  SER   6          1HB       SER   6   6.660  -2.242  -3.755
   47    HG   SER   6           HG       SER   6   4.824  -0.284  -2.818
   48    H    LYS   7           H        LYS   7   8.877  -0.050  -1.244
   49    HA   LYS   7           HA       LYS   7   7.438   1.801   0.451
   50    HB2  LYS   7          2HB       LYS   7  10.390   1.551  -0.132
   51    HB3  LYS   7          1HB       LYS   7   9.680   2.671   1.022
   52    HG2  LYS   7          2HG       LYS   7   8.821   0.766   2.314
   53    HG3  LYS   7          1HG       LYS   7   9.589  -0.335   1.168
   54    HD2  LYS   7          2HD       LYS   7  11.769   0.643   1.714
   55    HD3  LYS   7          1HD       LYS   7  10.985   1.710   2.881
   56    HE2  LYS   7          2HE       LYS   7  10.201  -0.234   4.123
   57    HE3  LYS   7          1HE       LYS   7  10.999  -1.299   2.971
   58    HZ1  LYS   7          1HZ       LYS   7  13.134  -0.254   3.612
   59    HZ2  LYS   7          2HZ       LYS   7  12.379  -1.022   4.910
   60    HZ3  LYS   7          3HZ       LYS   7  12.323   0.650   4.784
   61    HA   PRO   8           HA       PRO   8   7.448   3.893   1.158
   62    HB2  PRO   8          2HB       PRO   8   5.610   5.857   0.756
   63    HB3  PRO   8          1HB       PRO   8   7.340   6.190   0.850
   64    HG2  PRO   8          2HG       PRO   8   5.598   5.898  -1.552
   65    HG3  PRO   8          1HG       PRO   8   6.872   7.089  -1.225
   66    HD2  PRO   8          2HD       PRO   8   7.257   4.912  -2.796
   67    HD3  PRO   8          1HD       PRO   8   8.551   5.632  -1.820
   68    HA   PRO   9           HA       PRO   9   3.969   1.127   0.608
   69    HB2  PRO   9          2HB       PRO   9   3.435   1.565   3.469
   70    HB3  PRO   9          1HB       PRO   9   3.832   0.070   2.615
   71    HG2  PRO   9          2HG       PRO   9   5.597   1.253   4.245
   72    HG3  PRO   9          1HG       PRO   9   6.107   0.429   2.759
   73    HD2  PRO   9          2HD       PRO   9   5.758   3.354   3.283
   74    HD3  PRO   9          1HD       PRO   9   7.045   2.492   2.406
   75    H    ILE  10           H        ILE  10   2.283   1.937  -0.367
   76    HA   ILE  10           HA       ILE  10   0.787   4.103   0.861
   77    HB   ILE  10           HB       ILE  10   1.381   4.395  -1.517
   78   HG12  ILE  10          2HG1      ILE  10  -0.890   4.791  -2.490
   79   HG13  ILE  10          1HG1      ILE  10  -1.583   3.908  -1.138
   80   HG21  ILE  10          1HG2      ILE  10   0.475   2.976  -3.287
   81   HG22  ILE  10          2HG2      ILE  10  -0.153   1.874  -2.062
   82   HG23  ILE  10          3HG2      ILE  10   1.586   2.112  -2.223
   83   HD11  ILE  10          1HD1      ILE  10  -1.766   6.311  -0.830
   84   HD12  ILE  10          2HD1      ILE  10  -0.012   6.471  -0.947
   85   HD13  ILE  10          3HD1      ILE  10  -0.731   5.595   0.405
   86    H    ALA  11           H        PRG  11  -1.240   3.750   1.679
   87    HA   ALA  11           HA       PRG  11  -2.335   1.078   1.243
   88    HB1  ALA  11          1HB       PRG  11  -3.246   1.000   3.501
   89    HB2  ALA  11          2HB       PRG  11  -2.662   2.609   3.848
   90    H    PHE  12           H        PHE  12  -3.979   1.230   0.095
   91    HA   PHE  12           HA       PHE  12  -5.543   3.625  -0.127
   92    HB2  PHE  12          2HB       PHE  12  -5.967   0.891  -1.373
   93    HB3  PHE  12          1HB       PHE  12  -6.874   2.337  -1.773
   94    HD1  PHE  12          1HD       PHE  12  -5.843   4.161  -3.027
   95    HD2  PHE  12          2HD       PHE  12  -3.711   0.561  -2.211
   96    HE1  PHE  12          1HE       PHE  12  -4.206   4.739  -4.750
   97    HE2  PHE  12          2HE       PHE  12  -2.066   1.153  -3.947
   98    HZ   PHE  12           HZ       PHE  12  -2.315   3.239  -5.215
   99    HA   PRO  13           HA       PRO  13  -8.239   2.964   3.312
  100    HB2  PRO  13          2HB       PRO  13 -10.579   3.909   2.074
  101    HB3  PRO  13          1HB       PRO  13  -9.410   4.856   2.997
  102    HG2  PRO  13          2HG       PRO  13  -9.641   4.483   0.046
  103    HG3  PRO  13          1HG       PRO  13  -9.180   5.928   0.962
  104    HD2  PRO  13          2HD       PRO  13  -7.355   4.496  -0.306
  105    HD3  PRO  13          1HD       PRO  13  -7.001   5.156   1.307
  106    H    ASP  14           H        ASP  14  -9.054   1.519   0.253
  107    HA   ASP  14           HA       ASP  14 -11.293  -0.016   1.142
  108    HB2  ASP  14          2HB       ASP  14 -10.836   0.419  -1.253
  109    HB3  ASP  14          1HB       ASP  14  -9.380  -0.563  -1.143
  110    H1   WMH 101          1HG       AZH   3  -1.854  -1.756   5.043
  111    H2   WMH 101          2HG       AZH   3  -2.706  -0.944   3.736
  112    H5   WMH 101           HD       PRG  11   0.071   2.904   4.023
  Start of MODEL   18
    1    H1   GLY   1           H        GLY   1  -8.335  -0.424   1.610
    2    HA2  GLY   1          2HA       GLY   1  -7.945  -2.531   2.618
    3    HA3  GLY   1          1HA       GLY   1  -9.030  -3.259   1.443
    4    H    ARG   2           H        ARG   2  -6.071  -1.256   1.279
    5    HA   ARG   2           HA       ARG   2  -4.695  -3.449  -0.001
    6    HB2  ARG   2          2HB       ARG   2  -5.869  -2.264  -1.862
    7    HB3  ARG   2          1HB       ARG   2  -4.971  -0.811  -1.440
    8    HG2  ARG   2          2HG       ARG   2  -2.873  -1.980  -1.879
    9    HG3  ARG   2          1HG       ARG   2  -3.788  -3.421  -2.323
   10    HD2  ARG   2          2HD       ARG   2  -4.915  -2.060  -4.063
   11    HD3  ARG   2          1HD       ARG   2  -3.784  -0.759  -3.695
   12    HE   ARG   2           HE       ARG   2  -2.360  -3.111  -4.152
   13   HH11  ARG   2          1HH1      ARG   2  -4.194  -0.640  -5.905
   14   HH12  ARG   2          2HH1      ARG   2  -3.476  -0.981  -7.417
   15   HH21  ARG   2          1HH2      ARG   2  -1.387  -3.579  -6.272
   16   HH22  ARG   2          2HH2      ARG   2  -1.856  -2.659  -7.621
   17    H    ALA   3           H        AZH   3  -2.633  -3.432   0.639
   18    HA   ALA   3           HA       AZH   3  -1.411  -0.914   1.493
   19    HB1  ALA   3          1HB       AZH   3  -0.182  -2.627   3.142
   20    HB2  ALA   3          2HB       AZH   3  -1.729  -3.440   3.013
   21    H    TYR   4           H        TYR   4   0.570  -0.566   0.767
   22    HA   TYR   4           HA       TYR   4   1.793  -2.611  -0.881
   23    HB2  TYR   4          2HB       TYR   4   2.283   0.347  -0.558
   24    HB3  TYR   4          1HB       TYR   4   3.429  -0.687  -1.396
   25    HD1  TYR   4          1HD       TYR   4   3.033  -1.370  -3.626
   26    HD2  TYR   4          2HD       TYR   4  -0.031   0.637  -1.483
   27    HE1  TYR   4          1HE       TYR   4   1.800  -1.048  -5.721
   28    HE2  TYR   4          2HE       TYR   4  -1.283   0.957  -3.576
   29    HH   TYR   4           HH       TYR   4  -0.742   1.128  -5.959
   30    H    LYS   5           H        LYS   5   3.668  -3.540  -0.457
   31    HA   LYS   5           HA       LYS   5   4.680  -3.345   2.256
   32    HB2  LYS   5          2HB       LYS   5   5.450  -5.211  -0.003
   33    HB3  LYS   5          1HB       LYS   5   6.001  -5.334   1.658
   34    HG2  LYS   5          2HG       LYS   5   3.132  -5.586   0.778
   35    HG3  LYS   5          1HG       LYS   5   4.214  -6.942   1.091
   36    HD2  LYS   5          2HD       LYS   5   4.436  -6.224   3.429
   37    HD3  LYS   5          1HD       LYS   5   3.383  -4.846   3.110
   38    HE2  LYS   5          2HE       LYS   5   1.540  -6.306   2.606
   39    HE3  LYS   5          1HE       LYS   5   2.568  -7.731   2.759
   40    HZ1  LYS   5          1HZ       LYS   5   1.175  -7.323   4.691
   41    HZ2  LYS   5          2HZ       LYS   5   1.918  -5.844   4.971
   42    HZ3  LYS   5          3HZ       LYS   5   2.797  -7.284   5.079
   43    H    SER   6           H        SER   6   5.757  -2.976  -1.080
   44    HA   SER   6           HA       SER   6   8.375  -2.108  -0.334
   45    HB2  SER   6          2HB       SER   6   6.954  -2.049  -3.000
   46    HB3  SER   6          1HB       SER   6   8.683  -1.806  -2.744
   47    HG   SER   6           HG       SER   6   7.792  -3.950  -3.354
   48    H    LYS   7           H        LYS   7   9.213  -0.020  -0.903
   49    HA   LYS   7           HA       LYS   7   7.428   2.068  -0.072
   50    HB2  LYS   7          2HB       LYS   7  10.355   2.128  -0.808
   51    HB3  LYS   7          1HB       LYS   7   9.468   3.485  -0.128
   52    HG2  LYS   7          2HG       LYS   7   9.056   2.215   1.912
   53    HG3  LYS   7          1HG       LYS   7   9.892   0.827   1.228
   54    HD2  LYS   7          2HD       LYS   7  11.147   3.527   1.745
   55    HD3  LYS   7          1HD       LYS   7  11.278   2.134   2.815
   56    HE2  LYS   7          2HE       LYS   7  12.401   0.875   1.019
   57    HE3  LYS   7          1HE       LYS   7  12.268   2.276  -0.036
   58    HZ1  LYS   7          1HZ       LYS   7  14.459   2.093   1.001
   59    HZ2  LYS   7          2HZ       LYS   7  13.763   2.237   2.530
   60    HZ3  LYS   7          3HZ       LYS   7  13.667   3.519   1.441
   61    HA   PRO   8           HA       PRO   8   7.047   4.290  -0.253
   62    HB2  PRO   8          2HB       PRO   8   4.794   5.507  -1.086
   63    HB3  PRO   8          1HB       PRO   8   6.398   6.114  -1.519
   64    HG2  PRO   8          2HG       PRO   8   4.515   4.426  -3.114
   65    HG3  PRO   8          1HG       PRO   8   5.437   5.847  -3.632
   66    HD2  PRO   8          2HD       PRO   8   6.228   3.308  -4.138
   67    HD3  PRO   8          1HD       PRO   8   7.380   4.635  -3.902
   68    HA   PRO   9           HA       PRO   9   4.010   1.135   0.834
   69    HB2  PRO   9          2HB       PRO   9   4.255   1.874   3.606
   70    HB3  PRO   9          1HB       PRO   9   4.921   0.449   2.804
   71    HG2  PRO   9          2HG       PRO   9   6.448   2.509   3.821
   72    HG3  PRO   9          1HG       PRO   9   6.973   1.405   2.542
   73    HD2  PRO   9          2HD       PRO   9   5.902   4.179   2.331
   74    HD3  PRO   9          1HD       PRO   9   7.212   3.390   1.426
   75    H    ILE  10           H        ILE  10   2.389   2.385  -0.123
   76    HA   ILE  10           HA       ILE  10   0.984   4.160   1.711
   77    HB   ILE  10           HB       ILE  10   1.544   5.218  -0.421
   78   HG12  ILE  10          2HG1      ILE  10  -1.426   4.621  -0.273
   79   HG13  ILE  10          1HG1      ILE  10  -0.586   5.852   0.658
   80   HG21  ILE  10          1HG2      ILE  10   0.620   4.451  -2.562
   81   HG22  ILE  10          2HG2      ILE  10   0.009   3.004  -1.758
   82   HG23  ILE  10          3HG2      ILE  10   1.745   3.296  -1.849
   83   HD11  ILE  10          1HD1      ILE  10  -0.892   5.798  -2.336
   84   HD12  ILE  10          2HD1      ILE  10  -0.053   7.042  -1.407
   85   HD13  ILE  10          3HD1      ILE  10  -1.792   6.819  -1.212
   86    H    ALA  11           H        PRG  11  -1.110   3.729   2.285
   87    HA   ALA  11           HA       PRG  11  -2.115   1.177   1.314
   88    HB1  ALA  11          1HB       PRG  11  -3.203   0.822   3.484
   89    HB2  ALA  11          2HB       PRG  11  -2.605   2.360   4.069
   90    H    PHE  12           H        PHE  12  -4.220   1.073   0.922
   91    HA   PHE  12           HA       PHE  12  -5.610   3.627   0.665
   92    HB2  PHE  12          2HB       PHE  12  -5.798   1.079  -0.966
   93    HB3  PHE  12          1HB       PHE  12  -6.982   2.369  -1.076
   94    HD1  PHE  12          1HD       PHE  12  -3.333   1.679  -1.508
   95    HD2  PHE  12          2HD       PHE  12  -6.654   4.134  -2.546
   96    HE1  PHE  12          1HE       PHE  12  -1.968   2.818  -3.229
   97    HE2  PHE  12          2HE       PHE  12  -5.300   5.260  -4.248
   98    HZ   PHE  12           HZ       PHE  12  -2.957   4.602  -4.592
   99    HA   PRO  13           HA       PRO  13  -8.313   1.991   3.829
  100    HB2  PRO  13          2HB       PRO  13 -10.404   3.712   3.434
  101    HB3  PRO  13          1HB       PRO  13  -8.927   4.159   4.295
  102    HG2  PRO  13          2HG       PRO  13  -9.681   4.673   1.443
  103    HG3  PRO  13          1HG       PRO  13  -8.936   5.777   2.615
  104    HD2  PRO  13          2HD       PRO  13  -7.502   4.543   0.725
  105    HD3  PRO  13          1HD       PRO  13  -6.836   4.831   2.347
  106    H    ASP  14           H        ASP  14  -8.684   1.621   0.620
  107    HA   ASP  14           HA       ASP  14 -11.337   0.414   0.626
  108    HB2  ASP  14          2HB       ASP  14  -9.270   0.500  -1.586
  109    HB3  ASP  14          1HB       ASP  14 -10.934  -0.034  -1.751
  110    H1   WMH 101          1HG       AZH   3  -1.979  -2.106   4.883
  111    H2   WMH 101          2HG       AZH   3  -2.752  -1.161   3.613
  112    H5   WMH 101           HD       PRG  11   0.168   2.543   4.312
  Start of MODEL   19
    1    H1   GLY   1           H        GLY   1  -8.057  -0.452   1.580
    2    HA2  GLY   1          2HA       GLY   1  -7.506  -2.089   3.336
    3    HA3  GLY   1          1HA       GLY   1  -8.697  -3.148   2.587
    4    H    ARG   2           H        ARG   2  -6.044  -1.168   1.323
    5    HA   ARG   2           HA       ARG   2  -4.742  -3.592   0.407
    6    HB2  ARG   2          2HB       ARG   2  -6.165  -2.965  -1.485
    7    HB3  ARG   2          1HB       ARG   2  -5.529  -1.331  -1.446
    8    HG2  ARG   2          2HG       ARG   2  -4.566  -2.609  -3.278
    9    HG3  ARG   2          1HG       ARG   2  -3.334  -2.152  -2.107
   10    HD2  ARG   2          2HD       ARG   2  -3.021  -4.452  -2.869
   11    HD3  ARG   2          1HD       ARG   2  -3.391  -4.398  -1.154
   12    HE   ARG   2           HE       ARG   2  -5.723  -4.976  -1.830
   13   HH11  ARG   2          1HH1      ARG   2  -3.062  -5.884  -4.016
   14   HH12  ARG   2          2HH1      ARG   2  -3.833  -7.280  -4.578
   15   HH21  ARG   2          1HH2      ARG   2  -6.750  -6.863  -2.606
   16   HH22  ARG   2          2HH2      ARG   2  -5.985  -7.862  -3.765
   17    H    ALA   3           H        AZH   3  -2.921  -3.364   1.464
   18    HA   ALA   3           HA       AZH   3  -1.523  -0.791   1.436
   19    HB1  ALA   3          1HB       AZH   3  -0.163  -2.195   3.239
   20    HB2  ALA   3          2HB       AZH   3  -1.687  -3.056   3.349
   21    H    TYR   4           H        TYR   4   0.393  -0.644   0.482
   22    HA   TYR   4           HA       TYR   4   1.402  -3.025  -0.839
   23    HB2  TYR   4          2HB       TYR   4   1.845  -0.086  -1.323
   24    HB3  TYR   4          1HB       TYR   4   2.857  -1.320  -2.071
   25    HD1  TYR   4          1HD       TYR   4  -0.676  -0.209  -1.741
   26    HD2  TYR   4          2HD       TYR   4   2.168  -2.392  -4.019
   27    HE1  TYR   4          1HE       TYR   4  -2.345  -0.538  -3.504
   28    HE2  TYR   4          2HE       TYR   4   0.516  -2.716  -5.788
   29    HH   TYR   4           HH       TYR   4  -2.394  -1.015  -5.901
   30    H    LYS   5           H        LYS   5   3.380  -3.809  -0.548
   31    HA   LYS   5           HA       LYS   5   4.748  -2.910   1.839
   32    HB2  LYS   5          2HB       LYS   5   5.944  -5.101   1.605
   33    HB3  LYS   5          1HB       LYS   5   4.211  -5.236   1.861
   34    HG2  LYS   5          2HG       LYS   5   3.970  -5.564  -0.611
   35    HG3  LYS   5          1HG       LYS   5   5.731  -5.658  -0.708
   36    HD2  LYS   5          2HD       LYS   5   3.932  -7.466   0.917
   37    HD3  LYS   5          1HD       LYS   5   4.698  -7.890  -0.611
   38    HE2  LYS   5          2HE       LYS   5   6.886  -7.608   0.403
   39    HE3  LYS   5          1HE       LYS   5   6.119  -7.129   1.918
   40    HZ1  LYS   5          1HZ       LYS   5   6.822  -9.417   1.972
   41    HZ2  LYS   5          2HZ       LYS   5   5.869  -9.802   0.637
   42    HZ3  LYS   5          3HZ       LYS   5   5.151  -9.315   2.094
   43    H    SER   6           H        SER   6   4.744  -1.925  -1.038
   44    HA   SER   6           HA       SER   6   7.436  -1.955  -1.937
   45    HB2  SER   6          2HB       SER   6   5.121  -0.130  -2.591
   46    HB3  SER   6          1HB       SER   6   6.606  -0.290  -3.525
   47    HG   SER   6           HG       SER   6   5.509  -1.682  -4.531
   48    H    LYS   7           H        LYS   7   8.544   0.252  -2.226
   49    HA   LYS   7           HA       LYS   7   8.339   1.779   0.252
   50    HB2  LYS   7          2HB       LYS   7  10.498   0.765  -0.028
   51    HB3  LYS   7          1HB       LYS   7  10.627   1.356  -1.676
   52    HG2  LYS   7          2HG       LYS   7  10.798   3.642  -0.871
   53    HG3  LYS   7          1HG       LYS   7  10.580   3.073   0.783
   54    HD2  LYS   7          2HD       LYS   7  12.857   2.185  -0.982
   55    HD3  LYS   7          1HD       LYS   7  12.960   3.567   0.107
   56    HE2  LYS   7          2HE       LYS   7  12.329   0.732   0.947
   57    HE3  LYS   7          1HE       LYS   7  13.909   1.495   1.070
   58    HZ1  LYS   7          1HZ       LYS   7  12.934   3.147   2.580
   59    HZ2  LYS   7          2HZ       LYS   7  12.744   1.593   3.173
   60    HZ3  LYS   7          3HZ       LYS   7  11.436   2.375   2.474
   61    HA   PRO   8           HA       PRO   8   7.812   3.434   1.110
   62    HB2  PRO   8          2HB       PRO   8   6.033   5.386   1.485
   63    HB3  PRO   8          1HB       PRO   8   7.725   5.768   1.150
   64    HG2  PRO   8          2HG       PRO   8   5.379   5.797  -0.704
   65    HG3  PRO   8          1HG       PRO   8   6.686   6.982  -0.545
   66    HD2  PRO   8          2HD       PRO   8   6.611   5.023  -2.472
   67    HD3  PRO   8          1HD       PRO   8   8.100   5.772  -1.866
   68    HA   PRO   9           HA       PRO   9   4.107   0.986   1.082
   69    HB2  PRO   9          2HB       PRO   9   3.241   1.282   3.675
   70    HB3  PRO   9          1HB       PRO   9   4.548   0.196   3.192
   71    HG2  PRO   9          2HG       PRO   9   4.689   2.909   4.415
   72    HG3  PRO   9          1HG       PRO   9   5.722   1.499   4.692
   73    HD2  PRO   9          2HD       PRO   9   6.449   3.611   3.134
   74    HD3  PRO   9          1HD       PRO   9   7.038   1.957   2.861
   75    H    ILE  10           H        ILE  10   2.674   1.965  -0.199
   76    HA   ILE  10           HA       ILE  10   1.037   4.113   0.908
   77    HB   ILE  10           HB       ILE  10   1.962   4.589  -1.315
   78   HG12  ILE  10          2HG1      ILE  10  -0.137   5.054  -2.590
   79   HG13  ILE  10          1HG1      ILE  10  -1.017   4.069  -1.431
   80   HG21  ILE  10          1HG2      ILE  10   2.303   2.365  -2.160
   81   HG22  ILE  10          2HG2      ILE  10   1.343   3.299  -3.310
   82   HG23  ILE  10          3HG2      ILE  10   0.562   2.106  -2.270
   83   HD11  ILE  10          1HD1      ILE  10   0.474   6.613  -0.811
   84   HD12  ILE  10          2HD1      ILE  10  -0.417   5.631   0.352
   85   HD13  ILE  10          3HD1      ILE  10  -1.274   6.437  -0.960
   86    H    ALA  11           H        PRG  11  -1.180   3.816   1.259
   87    HA   ALA  11           HA       PRG  11  -2.143   1.109   0.738
   88    HB1  ALA  11          1HB       PRG  11  -3.232   1.028   2.881
   89    HB2  ALA  11          2HB       PRG  11  -2.805   2.686   3.234
   90    H    PHE  12           H        PHE  12  -4.279   0.971   0.361
   91    HA   PHE  12           HA       PHE  12  -5.719   3.465  -0.190
   92    HB2  PHE  12          2HB       PHE  12  -6.099   0.664  -1.292
   93    HB3  PHE  12          1HB       PHE  12  -7.204   1.994  -1.606
   94    HD1  PHE  12          1HD       PHE  12  -6.688   3.678  -3.199
   95    HD2  PHE  12          2HD       PHE  12  -3.808   0.705  -2.225
   96    HE1  PHE  12          1HE       PHE  12  -5.343   4.357  -5.130
   97    HE2  PHE  12          2HE       PHE  12  -2.449   1.396  -4.177
   98    HZ   PHE  12           HZ       PHE  12  -3.223   3.209  -5.620
   99    HA   PRO  13           HA       PRO  13  -7.998   2.587   3.469
  100    HB2  PRO  13          2HB       PRO  13 -10.287   4.009   2.900
  101    HB3  PRO  13          1HB       PRO  13  -8.791   4.709   3.521
  102    HG2  PRO  13          2HG       PRO  13  -9.799   4.604   0.706
  103    HG3  PRO  13          1HG       PRO  13  -8.966   5.917   1.548
  104    HD2  PRO  13          2HD       PRO  13  -7.720   4.312  -0.204
  105    HD3  PRO  13          1HD       PRO  13  -6.892   4.970   1.222
  106    H    ASP  14           H        ASP  14  -8.989   1.495   0.490
  107    HA   ASP  14           HA       ASP  14 -11.404   0.178   1.246
  108    HB2  ASP  14          2HB       ASP  14  -9.494  -0.292  -1.044
  109    HB3  ASP  14          1HB       ASP  14 -10.995  -1.184  -0.837
  110    H1   WMH 101          1HG       AZH   3  -1.844  -1.468   5.011
  111    H2   WMH 101          2HG       AZH   3  -2.757  -0.767   3.682
  112    H5   WMH 101           HD       PRG  11  -0.031   3.125   3.528
  Start of MODEL   20
    1    H1   GLY   1           H        GLY   1  -7.966  -0.504   1.641
    2    HA2  GLY   1          2HA       GLY   1  -7.477  -2.499   3.077
    3    HA3  GLY   1          1HA       GLY   1  -8.716  -3.308   2.132
    4    H    ARG   2           H        ARG   2  -6.148  -1.111   1.059
    5    HA   ARG   2           HA       ARG   2  -4.983  -3.352  -0.396
    6    HB2  ARG   2          2HB       ARG   2  -5.701  -0.696  -1.634
    7    HB3  ARG   2          1HB       ARG   2  -4.626  -1.860  -2.378
    8    HG2  ARG   2          2HG       ARG   2  -6.425  -3.472  -2.521
    9    HG3  ARG   2          1HG       ARG   2  -7.513  -2.355  -1.693
   10    HD2  ARG   2          2HD       ARG   2  -7.340  -0.776  -3.498
   11    HD3  ARG   2          1HD       ARG   2  -6.138  -1.773  -4.313
   12    HE   ARG   2           HE       ARG   2  -8.140  -3.468  -4.164
   13   HH11  ARG   2          1HH1      ARG   2  -8.243  -0.049  -5.069
   14   HH12  ARG   2          2HH1      ARG   2  -9.506  -0.221  -6.180
   15   HH21  ARG   2          1HH2      ARG   2  -9.865  -3.720  -5.739
   16   HH22  ARG   2          2HH2      ARG   2 -10.460  -2.364  -6.567
   17    H    ALA   3           H        AZH   3  -3.293  -3.433   0.909
   18    HA   ALA   3           HA       AZH   3  -1.531  -1.106   1.006
   19    HB1  ALA   3          1HB       AZH   3  -0.394  -2.777   2.764
   20    HB2  ALA   3          2HB       AZH   3  -2.060  -3.325   2.886
   21    H    TYR   4           H        TYR   4   0.421  -1.195   0.196
   22    HA   TYR   4           HA       TYR   4   1.221  -3.690  -1.108
   23    HB2  TYR   4          2HB       TYR   4   1.963  -0.851  -1.879
   24    HB3  TYR   4          1HB       TYR   4   2.324  -2.318  -2.787
   25    HD1  TYR   4          1HD       TYR   4  -0.151   0.206  -2.046
   26    HD2  TYR   4          2HD       TYR   4   0.463  -3.553  -3.916
   27    HE1  TYR   4          1HE       TYR   4  -2.273   0.450  -3.178
   28    HE2  TYR   4          2HE       TYR   4  -1.680  -3.320  -5.085
   29    HH   TYR   4           HH       TYR   4  -3.360  -0.453  -5.297
   30    H    LYS   5           H        LYS   5   3.052  -4.526  -0.377
   31    HA   LYS   5           HA       LYS   5   4.377  -3.073   1.711
   32    HB2  LYS   5          2HB       LYS   5   5.550  -5.172   2.251
   33    HB3  LYS   5          1HB       LYS   5   3.815  -5.401   2.182
   34    HG2  LYS   5          2HG       LYS   5   4.118  -6.355  -0.121
   35    HG3  LYS   5          1HG       LYS   5   5.853  -6.232   0.135
   36    HD2  LYS   5          2HD       LYS   5   5.484  -8.412   0.741
   37    HD3  LYS   5          1HD       LYS   5   5.346  -7.602   2.296
   38    HE2  LYS   5          2HE       LYS   5   3.058  -8.473   0.517
   39    HE3  LYS   5          1HE       LYS   5   3.578  -9.278   1.985
   40    HZ1  LYS   5          1HZ       LYS   5   1.647  -7.988   2.390
   41    HZ2  LYS   5          2HZ       LYS   5   2.287  -6.601   1.764
   42    HZ3  LYS   5          3HZ       LYS   5   2.895  -7.234   3.220
   43    H    SER   6           H        SER   6   5.078  -1.492   0.236
   44    HA   SER   6           HA       SER   6   7.795  -1.961  -0.587
   45    HB2  SER   6          2HB       SER   6   5.681  -0.848  -2.458
   46    HB3  SER   6          1HB       SER   6   7.416  -0.893  -2.789
   47    HG   SER   6           HG       SER   6   6.538  -3.287  -1.993
   48    H    LYS   7           H        LYS   7   8.899   0.137  -0.854
   49    HA   LYS   7           HA       LYS   7   7.512   2.254   0.617
   50    HB2  LYS   7          2HB       LYS   7   9.814   3.017   1.323
   51    HB3  LYS   7          1HB       LYS   7   9.315   1.466   1.978
   52    HG2  LYS   7          2HG       LYS   7  10.679   0.334   0.270
   53    HG3  LYS   7          1HG       LYS   7  11.213   1.905  -0.328
   54    HD2  LYS   7          2HD       LYS   7  12.900   0.954   1.127
   55    HD3  LYS   7          1HD       LYS   7  12.193   2.370   1.897
   56    HE2  LYS   7          2HE       LYS   7  12.503   0.552   3.503
   57    HE3  LYS   7          1HE       LYS   7  10.795   0.908   3.296
   58    HZ1  LYS   7          1HZ       LYS   7  10.604  -1.037   1.855
   59    HZ2  LYS   7          2HZ       LYS   7  11.252  -1.483   3.327
   60    HZ3  LYS   7          3HZ       LYS   7  12.248  -1.340   1.990
   61    HA   PRO   8           HA       PRO   8   7.561   4.536   0.942
   62    HB2  PRO   8          2HB       PRO   8   5.684   6.056  -0.722
   63    HB3  PRO   8          1HB       PRO   8   6.856   6.653   0.453
   64    HG2  PRO   8          2HG       PRO   8   7.156   7.024  -2.203
   65    HG3  PRO   8          1HG       PRO   8   8.531   6.820  -1.107
   66    HD2  PRO   8          2HD       PRO   8   7.261   4.825  -2.947
   67    HD3  PRO   8          1HD       PRO   8   8.981   5.113  -2.622
   68    HA   PRO   9           HA       PRO   9   4.261   1.609   0.970
   69    HB2  PRO   9          2HB       PRO   9   3.122   2.301   3.359
   70    HB3  PRO   9          1HB       PRO   9   4.595   1.338   3.214
   71    HG2  PRO   9          2HG       PRO   9   4.285   4.247   3.792
   72    HG3  PRO   9          1HG       PRO   9   5.412   3.079   4.503
   73    HD2  PRO   9          2HD       PRO   9   6.150   4.840   2.594
   74    HD3  PRO   9          1HD       PRO   9   6.873   3.223   2.733
   75    H    ILE  10           H        ILE  10   2.539   1.737  -0.217
   76    HA   ILE  10           HA       ILE  10   0.788   4.074   0.002
   77    HB   ILE  10           HB       ILE  10   1.148   2.120  -2.296
   78   HG12  ILE  10          2HG1      ILE  10   3.027   3.651  -2.132
   79   HG13  ILE  10          1HG1      ILE  10   2.050   4.053  -3.540
   80   HG21  ILE  10          1HG2      ILE  10  -0.622   4.553  -2.157
   81   HG22  ILE  10          2HG2      ILE  10  -1.163   2.875  -2.161
   82   HG23  ILE  10          3HG2      ILE  10  -0.363   3.547  -3.582
   83   HD11  ILE  10          1HD1      ILE  10   1.050   5.913  -2.285
   84   HD12  ILE  10          2HD1      ILE  10   2.806   6.045  -2.396
   85   HD13  ILE  10          3HD1      ILE  10   2.061   5.505  -0.896
   86    H    ALA  11           H        PRG  11  -1.076   3.693   0.976
   87    HA   ALA  11           HA       PRG  11  -2.205   1.013   0.809
   88    HB1  ALA  11          1HB       PRG  11  -2.936   1.109   3.171
   89    HB2  ALA  11          2HB       PRG  11  -2.074   2.620   3.376
   90    H    PHE  12           H        PHE  12  -4.082   1.159   0.013
   91    HA   PHE  12           HA       PHE  12  -5.557   3.646   0.207
   92    HB2  PHE  12          2HB       PHE  12  -6.207   1.102  -1.318
   93    HB3  PHE  12          1HB       PHE  12  -7.174   2.564  -1.347
   94    HD1  PHE  12          1HD       PHE  12  -4.237   0.917  -2.653
   95    HD2  PHE  12          2HD       PHE  12  -6.274   4.625  -2.337
   96    HE1  PHE  12          1HE       PHE  12  -2.865   1.838  -4.506
   97    HE2  PHE  12          2HE       PHE  12  -4.924   5.536  -4.170
   98    HZ   PHE  12           HZ       PHE  12  -3.215   4.139  -5.251
   99    HA   PRO  13           HA       PRO  13  -7.428   2.452   3.964
  100    HB2  PRO  13          2HB       PRO  13  -9.835   3.802   3.640
  101    HB3  PRO  13          1HB       PRO  13  -8.333   4.504   4.247
  102    HG2  PRO  13          2HG       PRO  13  -9.476   4.575   1.488
  103    HG3  PRO  13          1HG       PRO  13  -8.668   5.865   2.397
  104    HD2  PRO  13          2HD       PRO  13  -7.392   4.548   0.487
  105    HD3  PRO  13          1HD       PRO  13  -6.549   4.979   1.994
  106    H    ASP  14           H        ASP  14  -8.989   1.776   1.001
  107    HA   ASP  14           HA       ASP  14 -11.267   0.381   1.948
  108    HB2  ASP  14          2HB       ASP  14  -9.836   0.155  -0.696
  109    HB3  ASP  14          1HB       ASP  14 -11.417  -0.533  -0.338
  110    H1   WMH 101          1HG       AZH   3  -1.854  -1.765   4.567
  111    H2   WMH 101          2HG       AZH   3  -2.667  -0.896   3.268
  112    H5   WMH 101           HD       PRG  11   0.668   2.508   3.230